diff --git a/OntoCAPE/OntoCAPE.owl b/OntoCAPE/OntoCAPE.owl index d37440a..f3d0c2b 100644 --- a/OntoCAPE/OntoCAPE.owl +++ b/OntoCAPE/OntoCAPE.owl @@ -1,40 +1,40 @@ - - - - - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:process="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process.owl#" + xmlns:OntoCAPE="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/OntoCAPE.owl" + xmlns:behavior="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:polymers="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/polymers.owl#" + xmlns:cost_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/cost_model.owl#" + xmlns:space_time="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/space_and_time/space_and_time.owl#" + xmlns:phase_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#" + xmlns:process_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/process_model.owl#" + xmlns:space_and_time="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/space_and_time/space_and_time.owl" + xmlns:derived_SI_units="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/SI_unit/derived_SI_units.owl#" + xmlns:technical_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl" + xmlns:mathematical_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#" + xmlns:chemical_process_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/chemical_process_system.owl#" + xmlns:numerical_solution_strategy="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/numerical_solution_strategy.owl#"> + + + + + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. diff --git a/OntoCAPE/applications/aspen_plus/aspen_component_identifiers.owl b/OntoCAPE/applications/aspen_plus/aspen_component_identifiers.owl index 2564f18..ee9f52e 100644 --- a/OntoCAPE/applications/aspen_plus/aspen_component_identifiers.owl +++ b/OntoCAPE/applications/aspen_plus/aspen_component_identifiers.owl @@ -1,19 +1,19 @@ - - - - + xmlns:aspen_plus="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/applications/aspen_plus/aspen_plus.owl#" + xmlns:chemical_species="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#" + xmlns:aspen_component_identifiers="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/applications/aspen_plus/aspen_component_identifiers.owl"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -34,549 +34,549 @@ - + - + C12H10-D0 ACENAPHTHENE - + - + C12H8 ACENAPHTHALENE - + - + C2H4O-1 ACETALDEHYDE - + - + C2H3CLO-D0 CHLOROACETALDEHYDE - + - + C2HCL3O-D1 TRICHLOROACETALDEHYDE - + - + C2H5NO-D3 ACETALDOXIME - + - + C2H5NO-D1 ACETAMIDE - + - + C3H7NO-D1 N-METHYLACETAMIDE - + - + C8H9NO ACETANILIDE - + - + C4H9NO-D0 N,N-DIMETHYLACETAMIDE - + - + C8H9NO2 ACETAMINOPHEN - + - + C2H4O2-1 ACETIC-ACID - + - + C5H10O2-D2 ISOPROPYL-ACETATE - + - + C6H12O2-D1 SEC-BUTYL-ACETATE - + - + C6H12O2 TERT-BUTYL-ACETATE - + - + C10H20O2-D2 2-ETHYLHEXYL-ACETATE - + - + C5H8O2-D2 ALLYL-ACETATE - + - + C6H12O2-1 N-BUTYL-ACETATE - + - + C2H3CLO2 CHLOROACETIC-ACID - + - + C3H5CLO2 METHYL-CHLOROACETATE - + - + C5H7NO2 ETHYL-CYANOACETATE - + - + C4H5NO2 METHYL-CYANOACETATE - + - + C8H14O2-D2 CYCLOHEXYL-ACETATE - + - + C2H2CL2O2 DICHLOROACETIC-ACID - + - + C9H18O2-D3 N-HEPTYL-ACETATE - + - + C2H4O3-D1 GLYCOLIC-ACID - + - + C2H4O2S THIOGLYCOLIC-ACID - + - + C3H6O3 METHOXYACETIC-ACID - + - + C3H6O2-3 METHYL-ACETATE - + - + C12H24O2-E1 N-DECYL-ACETATE - + - + C11H22O2 N-NONYL-ACETATE - + - + C10H20O2-D4 N-OCTYL-ACETATE - + - + C7H14O2-D5 N-PENTYL-ACETATE - + - + C2HCL3O2 TRICHLOROACETIC-ACID - + - + C2HF3O2 TRIFLUOROACETIC-ACID - + - + C4H6O3 ACETIC-ANHYDRIDE - + - + C4H6O2-1 VINYL-ACETATE - + - + C3H6O-1 ACETONE - + - + C2H3N ACETONITRILE - + - + C2H3NO-E1 HYDROXYACETONITRILE - + - + C8H8O METHYL-PHENYL-KETONE - + - + C8H8O2-D5 4-HYDROXYACETOPHENONE - + - + C2H3CLO ACETYL-CHLORIDE - + - + C2H2CL2O CHLOROACETYL-CHLORIDE - + - + C2HCL3O DICHLOROACETYL-CHLORIDE - + - + C5H8O2-D1 ACETYLACETONE - + - + C2H2 ACETYLENE - + - + C13H9N ACRIDINE - + - + C3H5NO-D1 ACRYLAMIDE - + - + C10H16-D5 ADAMANTANE - + - + C12H20 1,3-DIMETHYLADAMANTANE - + - + C6H15AL2CL3 ETHYL-ALUMINUM-SESQUICHLORIDE - + - + AL ALUMINIUM - + - + AL2CL6 DIALUMINIUM-HEXACHLORIDE-GAS - + - + AL4C3 TETRAALUMINIUM-TRICARBIDE - + - + ALCL2 ALUMINIUM-DICHLORIDE-GAS - + - + ALOCL ALUMINIUM-CHLORIDE-OXIDE - + - + ALF2 ALUMINIUM-DIFLUORIDE-GAS - + - + ALOF2 ALUMINIUM-DIFLUORIDE-OXIDE-GAS - + - + AL2F6 DIALUMINIUM-HEXAFLUORIDE-GAS - + - + AL(OH)3 AL(OH)3-A ALUMINIUM-HYDROXIDE @@ -585,108 +585,108 @@ - + - + ALO(OH) BOEHMITE-ALO(OH) - + - + AL2I6 DIALUMINIUM-HEXAIODIDE-GAS - + - + ALBR ALUMINIUM-MONOBROMIDE-GAS - + - + ALCL ALUMINIUM-MONOCHLORIDE-GAS - + - + ALF ALUMINIUM-MONOFLUORIDE-GAS - + - + ALOF ALUMINIUM-FLUORIDE-OXIDE-GAS - + - + ALP ALUMINIUM-PHOSPHIDE - + - + ALTE ALUMINIUM-MONOTELLURIDE-GAS - + - + ALO ALUMINIUM-MONOXIDE-GAS - + - + ALN ALUMINIUM-NITRIDE - + - + AL2O3 ALUMINIUM-OXIDE-ALPHA-CORUNDUM - + - + AL2SIO5 AL2SIO5-S ALUMINIUM-SILICATE-KYANITE @@ -695,1935 +695,1935 @@ - + - + AL2S3 ALUMINIUM-SULFIDE - + - + ALBR3 ALUMINIUM-BROMIDE - + - + ALCL3 ALUMINIUM-CHLORIDE - + - + ALF3 ALUMINIUM-FLUORIDE - + - + ALI3 ALUMINIUM-IODIDE - + - + AM AMERICIUM - + - + ND2 AMIDOGEN-D2-GAS - + - + NH2 AMIDOGEN-GAS - + - + H3N AMMONIA - + - + ND3 AMMONIA-D3-GAS - + - + NH4HSO4 AMMONIUM-BISULFATE - + - + NH4CL AMMONIUM-CHLORIDE - + - + NH4I AMMONIUM-IODIDE - + - + NH4NO3 AMMONIUM-NITRATE - + - + C2H8N2O4 AMMONIUM-OXALATE - + - + NH4CLO4 AMMONIUM-PERCHLORATE - + - + (NH4)2SO4 AMMONIUM-SULFATE - + - + AL2SIO5-A ALUMINIUM-SILICATE-ANDALUSITE - + - + C10H12O ANETHOLE - + - + C6H7N-1 ANILINE - + - + C6H7NO3S SULFANILIC-ACID - + - + C7H9N-5 METHYLPHENYLAMINE - + - + C14H10-1 ANTHRACENE - + - + SB ANTIMONY - + - + SBSE ANTIMONY-SELENIDE-GAS - + - + SBCL5 ANTIMONY-PENTACHLORIDE-GAS - + - + SBBR3 ANTIMONY-TRIBROMIDE - + - + SBCL3 ANTIMONY-TRICHLORIDE - + - + SBF3 ANTIMONY-TRIFLUORIDE - + - + SBI3 ANTIMONY-TRIIODIDE - + - + AR ARGON - + - + AS ARSENIC - + - + ASO ARSENIC-MONOXIDE-GAS - + - + ASF5 ARSENIC-PENTAFLUORIDE-GAS - + - + ASBR3 ARSENIC-BROMIDE-GAS - + - + ASCL3 ARSENIC-CHLORIDE - + - + ASF3 ARSENIC-FLUORIDE - + - + ASI3 ARSENIC-IODIDE - + - + ASH3 ARSINE - + - + AUF3 GOLD-TRIFLUORIDE - + - + C3H7N-D1 PROPYLENEIMINE - + - + COB COBALT-MONOBORIDE - + - + H3BO3 HYDROGEN-ORTHOBORATE - + - + BA BARIUM - + - + BABR2 BARIUM-BROMIDE - + - + BACL2 BARIUM-CHLORIDE - + - + BA(OH)2 BARIUM-HYDROXIDE - + - + BAI2 BARIUM-IODIDE - + - + BAF2 BARIUM-FLUORIDE - + - + BACL BARIUM-MONOCHLORIDE-GAS - + - + BAF BARIUM-MONOFLUORIDE-GAS - + - + BAI BARIUM-MONOIODIDE-GAS - + - + BAO BARIUM-OXIDE - + - + BA(NO3)2 BARIUM-NITRATE - + - + BAS BARIUM-SULFIDE - + - + BAMOO4 BARIUM-MOLYBDATE - + - + BAWO4 BARIUM-TUNGSTATE - + - + C18H12-D1 BENZANTHRACENE - + - + C7H6O BENZALDEHYDE - + - + C7H6O2-D0 SALICYLALDEHYDE - + - + C8H8O-D2 O-TOLUALDEHYDE - + - + C9H11NO P-DIMETHYLAMINOBENZALDEHYDE - + - + C7H6O2-E1 P-HYDROXY-BENZALDEHYDE - + - + C8H8O3-D1 VANILLIN - + - + C8H8O-D0 P-TOLUALDEHYDE - + - + C7H9N-6 O-TOLUIDINE - + - + C12H10N2O2-A O-NITRODIPHENYLAMINE - + - + C10H15N-E2 2,6-DIETHYLANILINE - + - + C7H9N-7 M-TOLUIDINE - + - + C6H5CL2N 3,4-DICHLOROANILINE - + - + C12H11N3-E1 P-AMINOAZOBENZENE - + - + C8H11N-D2 N-ETHYLANILINE - + - + C10H15N-E1 N,N-DIETHYLANILINE - + - + C8H11N N,N-DIMETHYLANILINE - + - + C6H6 BENZENE - + - + C7H7BR P-BROMOTOLUENE - + - + C7H7CL-D2 O-CHLOROTOLUENE - + - + C6H4CLNO2-D2 O-CHLORONITROBENZENE - + - + C7H3CLF3NO2 4-CHLORO-3-NITROBENZOTRIFLUORIDE - + - + C6H3CLN2O4 1-CHLORO-2,4-DINITROBENZENE - + - + C6H4CLNO2-D1 M-CHLORONITROBENZENE - + - + C7H4CLF3 P-CHLOROBENZOTRIFLUORIDE - + - + C7H7CL-D3 P-CHLOROTOLUENE - + - + C6H4CLNO2-D3 P-CHLORONITROBENZENE - + - + C9H10-E3 O-METHYL-STYRENE - + - + C9H10-E2 M-METHYL-STYRENE - + - + C9H10-E4 P-METHYL-STYRENE - + - + C9H12-3 1-METHYL-2-ETHYLBENZENE - + - + C10H14-D3 1,2-DIMETHYL-3-ETHYLBENZENE - + - + C10H14-E3 4-ETHYL-M-XYLENE - + - + C9H12-4 1-METHYL-3-ETHYLBENZENE - + - + C10H14-E5 5-ETHYL-M-XYLENE - + - + C7H7NO3 O-NITROANISOLE - + - + C7H7NO2-D2 O-NITROTOLUENE - + - + C10H14-E8 1-METHYL-2-N-PROPYLBENZENE - + - + C7H6N2O4-E1 2,4-DINITROTOLUENE - + - + C7H7NO2-D1 M-NITROTOLUENE - + - + C10H14-E9 1-METHYL-3-N-PROPYLBENZENE - + - + C7H6N2O4-E5 3,5-DINITROTOLUENE - + - + C10H14-7 1-METHYL-4-ISOPROPYLBENZENE - + - + C7H7NO2-D3 P-NITROTOLUENE - + - + C10H14-E10 1-METHYL-4-N-PROPYLBENZENE - + - + C7H4F3NO2 3-NITROBENZOTRIFLUORIDE - + - + C18H22 2,3-DIMETHYL-2,3-DIPHENYLBUTANE - + - + C14H14O DIBENZYL-ETHER - + - + C15H10N2O2 DIPHENYLMETHANE-4,4-DIISOCYANATE - + - + C20H18 1,1,2-TRIPHENYLETHANE - + - + C20H16 TRIPHENYLETHYLENE - + - + C26H22 1,1,2,2-TETRAPHENYLETHANE - + - + C26H20 TETRAPHENYLETHYLENE - + - + C6H4CL2-1 O-DICHLOROBENZENE - + - + C7H3CL2NO 3,4-DICHLOROPHENYL-ISOCYANATE - + - + C6H3CL2NO2 1,2-DICHLORO-4-NITROBENZENE - + - + C10H14-D2 O-DIETHYLBENZENE - + - + C8H10-1 O-XYLENE - + - + C6H4N2O4-E2 O-DINITROBENZENE - + - + C6H3CL3-D2 1,2,3-TRICHLOROBENZENE - + - + C9H12-6 1,2,3-TRIMETHYLBENZENE - + - + C10H14-E7 1,2,3,4-TETRAMETHYL-BENZENE - + - + C10H14-E6 1,2,3,5-TETRAMETHYL-BENZENE - + - + C6H3CL3 1,2,4-TRICHLOROBENZENE - + - + C12H18-D6 1,2,4-TRIETHYLBENZENE - + - + C9H12-7 1,2,4-TRIMETHYLBENZENE - + - + C10H14-9 1,2,4,5-TETRAMETHYLBENZENE - + - + C12H18-D1 M-DIISOPROPYLBENZENE - + - + C6H4BR2 M-DIBROMOBENZENE - + - + C6H4CL2-2 M-DICHLOROBENZENE - + - + C10H10-D1 M-DIVINYLBENZENE - + - + C10H14-D1 M-DIETHYLBENZENE - + - + C9H6N2O2-D1 2,6-TOLUENE-DIISOCYANATE - + - + C8H10-2 M-XYLENE - + - + C6H4N2O4-E1 M-DINITROBENZENE - + - + C6H3CL3-D1 1,3,5-TRICHLOROBENZENE - + - + C12H18 1,3,5-TRIETHYLBENZENE - + - + C9H12-8 1,3,5-TRIMETHYLBENZENE - + - + C12H18-D2 P-DIISOPROPYLBENZENE - + - + C14H22-D2 1,4-DI-TERT-BUTYLBENZENE - + - + C6H4CL2-3 P-DICHLOROBENZENE - + - + C10H14-8 1,4-DIETHYLBENZENE - + - + C6H4N2O4-E3 P-DINITROBENZENE - + - + C10H14-E2 2-ETHYL-P-XYLENE - + - + C7H6N2O4-E3 2,6-DINITROTOLUENE - + - + C7H6N2O4-E2 2,5-DINITROTOLUENE - + - + C7H3CL2F3 2,4-DICHLOROBENZOTRIFLUORIDE - + - + C7H6CL2 2,4-DICHLOROTOLUENE - + - + C9H6N2O2 TOLUENE-DIISOCYANATE - + - + C10H14-E4 4-ETHYL-O-XYLENE - + - + C7H6N2O4-E4 3,4-DINITROTOLUENE - + - + C9H12-2 ISOPROPYLBENZENE - + - + C10H14-3 SEC-BUTYLBENZENE - + - + C10H14-2 ISOBUTYLBENZENE - + - + C7H6CL2-D1 BENZYL-DICHLORIDE - + - + C9H12O BENZYL-ETHYL-ETHER - + - + C7H5CL3 BENZOTRICHLORIDE - + - + C7H5F3 BENZOTRIFLUORIDE - + - + C6H5BR BROMOBENZENE - + - + C10H14-1 N-BUTYLBENZENE - + - + C6H5CL CHLOROBENZENE - + - + C12H16 CYCLOHEXYLBENZENE - + - + C16H26 N-DECYLBENZENE - + - + C8H10O-4 PHENETOLE - + - + C6H5F FLUOROBENZENE - + - + C6CL6 HEXACHLOROBENZENE - + - + C22H38 N-HEXADECYLBENZENE - + - + C18H30-D1 HEXAETHYLBENZENE - + - + C6F6 PERFLUOROBENZENE - + - + C12H18-D7 HEXAMETHYLBENZENE - + - + C6H5I IODOBENZENE - + - + C7H5NO PHENYL-ISOCYANATE - + - + C7H8O-1 METHYL-PHENYL-ETHER - + - + C6H5NO2 NITROBENZENE - + - + C15H24 N-NONYLBENZENE - + - + C24H42 N-OCTADECYLBENZENE - + - + C21H36 N-PENTADECYLBENZENE - + - + C11H16-D2 PENTAMETHYLBENZENE - + - + C11H16 N-PENTYLBENZENE - + - + C9H12-1 N-PROPYLBENZENE - + - + C10H14-4 TERT-BUTYLBENZENE - + - + C20H34 N-TETRADECYLBENZENE - + - + C19H32 N-TRIDECYLBENZENE - + - + C17H28 N-UNDECYLBENZENE - + - + C9H10O 2-PHENYLPROPIONALDEHYDE - + - + C9H10O3-D2 4-METHOXYPHENYLACETIC-ACID - + - + C8H7N-D1 PHENYLACETONITRILE - + - + C8H10O 2-PHENYLETHANOL - + - + C9H12O-D3 2-PHENYL-1-PROPANOL - + - + C7H8S BENZYL-MERCAPTAN - + - + C9H12O-D1 1-PHENYL-1-PROPANOL - + - + C9H12O-E1 DIMETHYL-PHENYL-CARBINOL - + - + C6H6O3S BENZENESULFONIC-ACID - + - + C6H6S PHENYL-MERCAPTAN - + - + C12H12N2-D3 BENZIDINE - + - + C8H6S BENZOTHIOPHENE - + - + C7H6O2 BENZOIC-ACID - + - + C9H8O4 ACETYLSALICYLIC-ACID - + - + C7H5CLO2 O-CHLOROBENZOIC-ACID - + - + C7H6O3 SALICYLIC-ACID - + - + C8H8O2-D1 O-TOLUIC-ACID - + - + C8H6O3 4-CARBOXYBENZALDEHYDE - + - + C8H8O2-D2 P-TOLUIC-ACID - + - + C11H14O2 BUTYL-BENZOATE - + - + C9H10O2 ETHYL-BENZOATE - + - + C8H8O2 METHYL-BENZOATE - + - + C7H5N BENZONITRILE - + - + C13H10O BENZOPHENONE - + - + C7H5CLO BENZOYL-CHLORIDE - + - + C7H4CL2O M-CHLOROBENZOYL-CHLORIDE - + - + C14H10O4 BENZOYL-PEROXIDE - + - + C14H12O2 BENZYL-BENZOATE - + - + C7H8O-2 BENZYL-ALCOHOL - + - + C7H7CL-D1 BENZYL-CHLORIDE - + - + C9H10O2-D0 BENZYL-ACETATE - + - + C7H9N-D1 BENZYLAMINE - + - + BE BERYLLIUM - + - + BEAL2O4 BEAL6O10 BERYLLIUM-DIALUMINIUM-TETRAOXIDE @@ -2632,18 +2632,18 @@ - + - + BE3B2O6 TRIBERYLLIUM-DIBORATE - + - + BEBR BEBR2 BERYLLIUM-BROMIDE @@ -2652,45 +2652,45 @@ - + - + BE2C DIBERYLLIUM-CARBIDE - + - + BECL2 BERYLLIUM-CHLORIDE - + - + BEF2 BERYLLIUM-FLUORIDE - + - + BE(OH)2 BERYLLIUM-HYDROXIDE-ALPHA - + - + BEI BEI2 BERYLLIUM-IODIDE @@ -2699,315 +2699,315 @@ - + - + BEF BERYLLIUM-MONOFLUORIDE-GAS - + - + BEH BERYLLIUM-MONOHYDRIDE-GAS - + - + BEO BERYLLIUM-OXIDE - + - + BE3N2 ALPHA-BERYLLIUM-NITRIDE - + - + BESO4 BERYLLIUM-SULFATE - + - + BES BERYLLIUM-SULFIDE - + - + BEWO4 BERYLLIUM-TUNGSTATE - + - + C4H8O2-D1 ACETALDOL - + - + C10H16-D3 BETA-PINENE - + - + C4H8CL2O DICHLOROETHYL-ETHER - + - + C10H16-E3 BETA-PHELLANDRENE - + - + C14H14-D2 1,2-DIPHENYLETHANE - + - + C9H12-D1 VINYLNORBORNENE - + - + C9H12 5-ETHYLIDENE-2-NORBORNENE - + - + C12H10 DIPHENYL - + - + C24H38O4 DIOCTYL-PHTHALATE - + - + BI BISMUTH - + - + BI2 BISMUTH-DIATOMIC-GAS - + - + BIBR3 BISMUTH-BROMIDE - + - + BICL3 BISMUTH-CHLORIDE - + - + BIF3 BISMUTH-FLUORIDE - + - + BII3 BISMUTH-IODIDE - + - + BCL3 BORON-TRICHLORIDE - + - + BF3 BORON-TRIFLUORIDE - + - + BH BORON-MONOHYDRIDE-GAS - + - + BF BORON-MONOFLUORIDE-GAS - + - + C12H27BO3 TRI-N-BUTYL-BORATE - + - + B4C TETRABORON-MONOCARBIDE - + - + BOCL BORON-CHLORIDE-OXIDE-GAS - + - + BBR BORON-MONOBROMIDE-GAS - + - + BCL BORON-MONOCHLORIDE-GAS - + - + BP BORON-MONOPHOSPHIDE - + - + BN BORON-NITRIDE - + - + HBO2 METABORIC-ACID - + - + B2S3 BS BORON-MONOSULFIDE-GAS @@ -3016,27 +3016,27 @@ - + - + BBR3 BORON-TRIBROMIDE - + - + B-I3 BORON-TRIIODIDE-GAS - + - + BR BR2 BROMINE @@ -3045,711 +3045,711 @@ - + - + CBR BROMOMETHYLIDYNE-GAS - + - + C4H8O-1 N-BUTYRALDEHYDE - + - + C10H11NO2 ACETOACETANILIDE - + - + C4H10-1 N-BUTANE - + - + C6H12O-D1 BUTYL-VINYL-ETHER - + - + C5H12S-D2 METHYL-N-BUTYL-SULFIDE - + - + C4H9BR-D1 1-BROMOBUTANE - + - + C4H9CL-1 1-CHLOROBUTANE - + - + C6H14O-2 ETHYL-BUTYL-ETHER - + - + C4H9I N-BUTYL-IODIDE - + - + C5H9NO-D1 N-BUTYL-ISOCYANATE - + - + C5H12O-E2 METHYL-N-BUTYL-ETHER - + - + C4H9NO2-D1 1-NITROBUTANE - + - + C8H18O2S DI-N-BUTYL-SULFONE - + - + C4H8CL2-D1 1,2-DICHLOROBUTANE - + - + C4H9BR-D2 2-BROMOBUTANE - + - + C4H9CL-2 2-CHLOROBUTANE - + - + C5H12O METHYL-SEC-BUTYL-ETHER - + - + C6H14O-E2 METHYL-TERT-PENTYL-ETHER - + - + C5H12-2 2-METHYL-BUTANE - + - + C6H14-4 2,2-DIMETHYL-BUTANE - + - + C7H16-9 2,2,3-TRIMETHYLBUTANE - + - + C8H18 2,2,3,3-TETRAMETHYLBUTANE - + - + C4H8CL2-D2 2,3-DICHLOROBUTANE - + - + C6H14-5 2,3-DIMETHYL-BUTANE - + - + C4H6O4-2 SUCCINIC-ACID - + - + C5H6O4-E2 ITACONIC-ACID - + - + C4H7N BUTYRONITRILE - + - + C4H8O2-1 N-BUTYRIC-ACID - + - + C6H12O2-D4 2-ETHYL-BUTYRIC-ACID - + - + C5H10O2-D3 ISOVALERIC-ACID - + - + C10H20O2-D3 ISOPENTYL-ISOVALERATE - + - + C7H14O2-D2 ETHYL-ISOVALERATE - + - + C6H10O3-D1 ETHYLACETOACETATE - + - + C5H8O3-D2 METHYL-ACETOACETATE - + - + C8H14O3 BUTYRIC-ANHYDRIDE - + - + C6H12O2-3 ETHYL-BUTYRATE - + - + C5H10O2-5 METHYL-BUTYRATE - + - + C7H14O2-D6 N-PROPYL-N-BUTYRATE - + - + C8H16O2-D1 N-BUTYL-N-BUTYRATE - + - + C8H14O2 N-BUTYL-METHACRYLATE - + - + C15H24O-D1 2,6-DI-TERT-BUTYL-P-CRESOL - + - + CH4O3S METHANESULFONIC-ACID - + - + CN2 CARBON-NITRIDE-NCN-RADICAL-GAS - + - + CD CADMIUM - + - + CDBR2 CADMIUM-BROMIDE - + - + CDCL2 CADMIUM-CHLORIDE - + - + CDF2 CADMIUM-FLUORIDE - + - + CDI2 CADMIUM-IODIDE - + - + CDO CADMIUM-OXIDE - + - + C8H10N4O2 CAFFEINE - + - + CA CALCIUM - + - + CABR2 CALCIUM-BROMIDE - + - + CACL2 CALCIUM-CHLORIDE - + - + CA(OH)2 CALCIUM-HYDROXIDE - + - + CAI2 CALCIUM-IODIDE - + - + CAF2 CALCIUM-FLUORIDE - + - + CABR CALCIUM-MONOBROMIDE-GAS - + - + CACL CALCIUM-MONOCHLORIDE-GAS - + - + CAF CALCIUM-MONOFLUORIDE-GAS - + - + CAH CALCIUM-MONOHYDRIDE-GAS - + - + CAOH CALCIUM-MONOHYDROXIDE-GAS - + - + CAI CALCIUM-MONOIODIDE-GAS - + - + CAO CALCIUM-OXIDE - + - + CAS CALCIUM-SULFIDE - + - + CAWO4 CALCIUM-TUNGSTATE - + - + C10H16-E1 CAMPHENE - + - + C10H16O CAMPHOR - + - + C12H9N DIBENZOPYRROLE - + - + CO2 CARBON-DIOXIDE - + - + CS2 CARBON-DISULFIDE - + - + C-S CARBON-MONOSULFIDE-GAS - + - + CO CARBON-MONOXIDE - + - + CBR4 TETRABROMOMETHANE-GAS - + - + CCL4 CARBON-TETRACHLORIDE - + - + CF4 CARBON-TETRAFLUORIDE - + - + C5H10O3-D1 DIETHYL-CARBONATE - + - + C3H6O3-D3 DIMETHYL-CARBONATE - + - + COF2 COF2-G CARBONIC-DIFLUORIDE-GAS @@ -3758,171 +3758,171 @@ - + - + C3H5CLO2-D1 ETHYL-CHLOROFORMATE - + - + C2H3CLO2-D1 METHYL-CHLOROFORMATE - + - + COCL CARBONYL-CHLORIDE-GAS - + - + COF CARBONYL-FLUORIDE-GAS - + - + COS CARBONYL-SULFIDE - + - + CE CERIUM - + - + CEC2 CERIUM-DICARBIDE - + - + CEO2 CERIUM-DIOXIDE - + - + CEN CERIUM-NITRIDE - + - + CES CERIUM-MONOSULFIDE - + - + CEO CERIUM-MONOXIDE-GAS - + - + CEBR3 CERIUM-BROMIDE - + - + CECL3 CERIUM-CHLORIDE - + - + CEF3 CERIUM-FLUORIDE - + - + CEI3 CERIUM-IODIDE - + - + CS CESIUM - + - + CSBR CESIUM-BROMIDE - + - + CSCL CESIUM-CHLORIDE - + - + CS2F2 CSF CESIUM-FLUORIDE @@ -3931,135 +3931,135 @@ - + - + CSOH CESIUM-HYDROXIDE - + - + CSI CESIUM-IODIDE - + - + CS2SO4 CESIUM-SULFATE - + - + CL2 CHLORINE - + - + CL CHLORINE-MONATOMIC-GAS - + - + CLO2 CHLORINE-DIOXIDE - + - + CLF CHLORINE-MONOFLUORIDE-GAS - + - + CLF3 CHLORINE-TRIFLUORIDE-GAS - + - + CHCL3 CHLOROFORM - + - + CCL CHLOROMETHYLIDYNE-GAS - + - + CR CHROMIUM - + - + CRN CHROMIUM-NITRIDE - + - + CR2O3 ESKOLAITE - + - + CRBR2 CHROMIUM-DIBROMIDE - + - + CR23C6 CR3C2 CR7C3 @@ -4070,144 +4070,144 @@ - + - + CRCL2 CHROMIUM-DICHLORIDE - + - + CRF2 CHROMIUM-DIFLUORIDE - + - + CRO2 CHROMIUM-DIOXIDE - + - + CR(CO)6 CHROMIUM-HEXACARBONYL - + - + CRO CHROMIUM-MONOXIDE-GAS - + - + CRF3 CHROMIUM-TRIFLUORIDE - + - + CRO3 CHROMIUM-TRIOXIDE - + - + CRO2CL2 CHROMIUM-DICHLORIDE-DIOXIDE-GAS - + - + C18H12 CHRYSENE - + - + C9H8O2 CINNAMIC-ACID - + - + C5H6O4-E1 CITRACONIC-ACID - + - + SICL SILICON-CHLORIDE-GAS - + - + COBALT COBALT - + - + COBR2 COBALT-DIBROMIDE - + - + CO-CL2 COBALT-DICHLORIDE - + - + CO-F2 COF3 COBALT-DIFLUORIDE @@ -4216,837 +4216,837 @@ - + - + CO-CL COBALT-MONOCHLORIDE-GAS - + - + COO COBALT-MONOXIDE - + - + COSO4 COBALT-SULFATE - + - + CU COPPER - + - + CU2O DICOPPER-OXIDE - + - + CUO COPPER-MONOXIDE - + - + CUCL2 COPPER-DICHLORIDE - + - + CUCN COPPER-CYANIDE - + - + CUF2 COPPER-DIFLUORIDE - + - + CU(OH)2 COPPER-HYDROXIDE - + - + CUF COPPER-MONOFLUORIDE - + - + C4H6O-D1 TRANS-CROTONALDEHYDE - + - + C4H6O2-D4 TRANS-CROTONIC-ACID - + - + NA3ALF6 CRYOLITE - + - + CUSO4 COPPER-SULFATE - + - + CUCL CUPROUS-CHLORIDE - + - + CN CYANO-GAS - + - + C2N2 CYANOGEN - + - + CCLN CYANOGEN-CHLORIDE - + - + C4H8-4 CYCLOBUTANE - + - + C7H14-1 CYCLOHEPTANE - + - + SE7 SELENIUM-7-ATOMIC-GAS - + - + C7H12 CYCLOHEPTENE - + - + C6H13N-D1 CYCLOHEXYLAMINE - + - + C12H23N DICYCLOHEXYLAMINE - + - + C7H15N N-METHYLCYCLOHEXYLAMINE - + - + C6H12-1 CYCLOHEXANE - + - + C8H16-1 1,1-DIMETHYLCYCLOHEXANE - + - + C8H16-2 CIS-1,2-DIMETHYLCYCLOHEXANE - + - + C8H16-3 TRANS-1,2-DIMETHYLCYCLOHEXANE - + - + C8H16-4 CIS-1,3-DIMETHYLCYCLOHEXANE - + - + C8H16-5 TRANS-1,3-DIMETHYLCYCLOHEXANE - + - + C9H18 1-TRANS-3,5-TRIMETHYLCYCLOHEXANE - + - + C8H16-6 CIS-1,4-DIMETHYLCYCLOHEXANE - + - + C8H16-7 TRANS-1,4-DIMETHYLCYCLOHEXANE - + - + C9H18-2 ISOPROPYLCYCLOHEXANE - + - + C10H20-3 SEC-BUTYLCYCLOHEXANE - + - + C10H20-2 ISOBUTYLCYCLOHEXANE - + - + C10H20-1 N-BUTYLCYCLOHEXANE - + - + C16H32-1 N-DECYLCYCLOHEXANE - + - + C6F12 PERFLUOROCYCLOHEXANE - + - + C8H16-8 ETHYLCYCLOHEXANE - + - + C7H14-6 METHYLCYCLOHEXANE - + - + C9H18-1 N-PROPYLCYCLOHEXANE - + - + C6H12S CYCLOHEXYL-MERCAPTAN - + - + C6H12O-1 CYCLOHEXANOL - + - + C7H14O-D3 1-METHYLCYCLOHEXANOL - + - + C7H14O-D4 CIS-2-METHYLCYCLOHEXANOL - + - + C7H14O-D5 TRANS-2-METHYLCYCLOHEXANOL - + - + C7H14O-D8 CIS-4-METHYLCYCLOHEXANOL - + - + C7H14O-D9 TRANS-4-METHYLCYCLOHEXANOL - + - + C6H10O CYCLOHEXANONE - + - + C6H11NO-D1 CYCLOHEXANONE-OXIME - + - + C6H10-2 CYCLOHEXENE - + - + C10H16-D4 TERPINOLENE - + - + C8H12 VINYLCYCLOHEXENE - + - + C6H12O2-D2 CYCLOHEXYL-PEROXIDE - + - + C7H11NO CYCLOHEXYL-ISOCYANATE - + - + C8H16-D6 CYCLOOCTANE - + - + SE8 SELENIUM-8-ATOMIC-GAS - + - + C8H14 CYCLOOCTENE - + - + C5H11N-D1 CYCLOPENTYLAMINE - + - + C5H10-1 CYCLOPENTANE - + - + C8H16-13 1-METHYL-1-ETHYLCYCLOPENTANE - + - + C7H14-2 1,1-DIMETHYLCYCLOPENTANE - + - + C8H16-10 1,1,3-TRIMETHYLCYCLOPENTANE - + - + C7H14-3 CIS-1,2-DIMETHYLCYCLOPENTANE - + - + C7H14-4 TRANS-1,2-DIMETHYLCYCLOPENTANE - + - + C7H14-E2 CIS-1,3-DIMETHYLCYCLOPENTANE - + - + C7H14-E3 TRANS-1,3-DIMETHYLCYCLOPENTANE - + - + C8H16-15 ISOPROPYLCYCLOPENTANE - + - + C9H18-D1 N-BUTYLCYCLOPENTANE - + - + C15H30-1 N-DECYLCYCLOPENTANE - + - + C7H14-5 ETHYLCYCLOPENTANE - + - + C6H12-2 METHYLCYCLOPENTANE - + - + C8H16-14 N-PROPYLCYCLOPENTANE - + - + C7H12O2 CYCLOPENTYLACETIC-ACID - + - + C5H8O CYCLOPENTANONE - + - + C5H8-1 CYCLOPENTENE - + - + C6H10-D1 1-METHYLCYCLOPENTENE - + - + C6H10-D2 3-METHYLCYCLOPENTENE - + - + C6H10-D3 4-METHYLCYCLOPENTENE - + - + C3H6-1 CYCLOPROPANE - + - + C8H24O4SI4 OCTAMETHYLCYCLOTETRASILOXANE - + - + C10H20O-D1 L-MENTHOL - + - + C10H30SI5O5 DECAMETHYLCYCLOPENTASILOXANE - + - + C10H20O 1-DECANAL - + - + C10H22-1 N-DECANE - + - + C10H18O4 SEBACIC-ACID - + - + C10H19N CAPRINITRILE - + - + C10H20O2-D1 N-DECANOIC-ACID - + - + C11H22O2-D2 METHYL-DECANOATE - + - + D D2 DEUTERIUM @@ -5055,756 +5055,756 @@ - + - + DH HYDROGEN-D1-GAS - + - + D2O DEUTERIUM-OXIDE - + - + C18H34O4-D1 DIBUTYL-SEBACATE - + - + C6H14O-D1 DI-N-PROPYL-ETHER - + - + C8H18O-D1 DI-SEC-BUTYL-ETHER - + - + C8H18O DI-TERT-BUTYL-ETHER - + - + C8H18O2 DI-T-BUTYL-PEROXIDE - + - + C22H42O4 DI-2-ETHYLHEXYL-ADIPATE - + - + C10H12O4 DIALLYL-MALEATE - + - + AL2O2 DIALUMINIUM-DIOXIDE-GAS - + - + AL2BR6 DIALUMINIUM-HEXABROMIDE-GAS - + - + AL2O DIALUMINIUM-OXIDE-GAS - + - + C-D CARBON-DIAMOND - + - + SB2S4 DIANTIMONY-TETRASULFIDE-GAS - + - + SB2SE3 DIANTIMONY-TRISELENIDE - + - + C12H8O DIBENZOFURAN - + - + C12H8S DIBENZOTHIOPHENE - + - + BE2CL4 DIBERYLLIUM-TETRACHLORIDE-GAS - + - + B2H6 DIBORANE - + - + B2O3 BORON-OXIDE - + - + C16H22O4 DIBUTYL-O-PHTHALATE - + - + CS2CL2 DICESIUM-DICHLORIDE-GAS - + - + CS2O CESIUM-OXIDE - + - + CL2O-G DICHLORINE-MONOXIDE-GAS - + - + C2H2CL2O-D1 DICHLOROACETALDEHYDE - + - + BCL2 BORON-DICHLORIDE-GAS - + - + CCL2F2 DICHLORODIFLUOROMETHANE - + - + CCL2 DICHLOROMETHYLENE-GAS - + - + C3H6SICL2 METHYL-VINYL-DICHLOROSILANE - + - + SIH2CL2 DICHLOROSILANE - + - + C2H4N4 DICYANDIAMIDE - + - + C4H11NO2-1 DIETHANOLAMINE - + - + C5H12O2-D4 ETHYLAL - + - + C12H14O4 DIETHYL-PHTHALATE - + - + C8H14O4 DIETHYL-SUCCINATE - + - + C4H10S DIETHYL-SULFIDE - + - + OF2 OXYGEN-DIFLUORIDE-GAS - + - + BF2 BORON-DIFLUORIDE-GAS - + - + CF2 DIFLUOROMETHYLENE-GAS - + - + GA2CL6 DIGALLIUM-HEXACHLORIDE-GAS - + - + GA2O DIGALLIUM-OXIDE-GAS - + - + GA2S DIGALLIUM-SULFIDE-GAS - + - + C4H6O5 DIGLYCOLIC-ACID - + - + H2S2 DIHYDROGEN-DISULFIDE-GAS - + - + B-I2 BORON-DIIODIDE-GAS - + - + FE2BR4 DIIRON-TETRABROMIDE-GAS - + - + FE2I4 DIIRON-TETRAIODIDE-GAS - + - + C28H46O4 DIISODECYL-PHTHALATE - + - + C24H38O4-D1 DIISOOCTYL-PHTHALATE - + - + C6H15NO2 DIISOPROPANOLAMINE - + - + C6H14O-3 DIISOPROPYL-ETHER - + - + PB2 LEAD-DIATOMIC-GAS - + - + LI2BR2 DILITHIUM-DIBROMIDE-GAS - + - + LI2CL2 DILITHIUM-DICHLORIDE-GAS - + - + LI2I2 DILITHIUM-DIIODIDE-GAS - + - + LI2O LITHIUM-OXIDE - + - + MG2BR4 DIMAGNESIUM-TETRABROMIDE-GAS - + - + MG2F4 DIMAGNESIUM-TETRAFLUORIDE-GAS - + - + C2H6O-1 DIMETHYL-ETHER - + - + C2H6S-2 DIMETHYL-SULFIDE - + - + C2H6OS DIMETHYL-SULFOXIDE - + - + C2H6ALCL DIMETHYLALUMINUM-CHLORIDE - + - + NB2O5 DINIOBIUM-PENTAOXIDE - + - + N2O5 NITROGEN-PENTOXIDE - + - + N2O4 NITROGEN-TETROXIDE - + - + N2O3 NITROGEN-TRIOXIDE - + - + C12H10O DIPHENYL-ETHER - + - + C12H11N DIPHENYLAMINE - + - + C12H10SICL2 DIPHENYLDICHLOROSILANE - + - + C14H10 DIPHENYLACETYLENE - + - + C13H12 DIPHENYLMETHANE - + - + K2 POTASSIUM-DIATOMIC-GAS - + - + K2CO3 POTASSIUM-CARBONATE - + - + K2CL2 DIPOTASSIUM-DICHLORIDE-GAS - + - + K2F2 DIPOTASSIUM-DIFLUORIDE-GAS - + - + K2I2 DIPOTASSIUM-DIIODIDE-GAS - + - + K2O POTASSIUM-OXIDE - + - + C6H14O3-D2 DIPROPYLENE-GLYCOL - + - + RE2O7 DIRHENIUM-HEPTAOXIDE - + - + RB2 RUBIDIUM-DIATOMIC-GAS - + - + RB2CL2 DIRUBIDIUM-DICHLORIDE-GAS - + - + RB2O RUBIDIUM-OXIDE - + - + SE2CL2 DISELENIUM-DICHLORIDE - + - + SI2H6 SI2H6-G DISILANE @@ -5813,1854 +5813,1854 @@ - + - + C6H18OSI2 HEXAMETHYLDISILOXANE - + - + NA2 SODIUM-DIATOMIC-GAS - + - + NA2CL2 DISODIUM-DICHLORIDE-GAS - + - + NA2F2 DISODIUM-DIFLUORIDE-GAS - + - + NA2O SODIUM-OXIDE - + - + C4H10S2 DIETHYL-DISULFIDE - + - + C2H6S2 DIMETHYL-DISULFIDE - + - + C6H14S2 DI-N-PROPYLDISULFIDE - + - + S2BR2 DISULFUR-DIBROMIDE-GAS - + - + S2CL2 DISULFUR-DICHLORIDE - + - + S2O DISULFUR-OXIDE-GAS - + - + TE2 TELLURIUM-DIATOMIC-GAS - + - + TL2F2 DITHALLIUM-DIFLUORIDE-GAS - + - + TL2O THALLIUM-OXIDE - + - + TL2SO4 THALLIUM-SULFATE - + - + TI2O3 DITITANIUM-TRIOXIDE - + - + W2O6 DITUNGSTEN-HEXAOXIDE-GAS - + - + C12H36SI6O6 DODECAMETHYLCYCLOHEXASILOXANE - + - + C12H36SI5O4 DODECAMETHYLPENTASILOXANE - + - + C12H24O 1-DODECANAL - + - + C12H24O2 N-DODECANOIC-ACID - + - + C13H26O2 METHYL-DODECANOATE - + - + C32H66 N-DOTRIACONTANE - + - + DY DYSPROSIUM - + - + DYCL3 DYSPROSIUM-CHLORIDE - + - + DYF3 DYSPROSIUM-FLUORIDE - + - + DYI3 DYSPROSIUM-IODIDE-GAS - + - + C20H42 N-EICOSANE - + - + ER ERBIUM - + - + ERCL3 ERBIUM-CHLORIDE - + - + ERF3 ERBIUM-FLUORIDE - + - + ERI3 ERBIUM-IODIDE-GAS - + - + C4H11N-3 DIETHYL-AMINE - + - + C4H11NO-D2 N,N-DIETHYLHYDROXYLAMINE - + - + C2H6 ETHANE - + - + C2H3CLF2 1-CHLORO-1,1-DIFLUOROETHANE - + - + C2H4BR2-D1 1,1-DIBROMOETHANE - + - + C2H4CL2-1 1,1-DICHLOROETHANE - + - + C6H14O2-D1 ACETAL - + - + C2H4F2 1,1-DIFLUOROETHANE - + - + C8H18O3-D1 DIETHYLENE-GLYCOL-DIETHYL-ETHER - + - + C2H3CL3-D0 1,1,1-TRICHLOROETHANE - + - + C2CL3F3-D1 1,1,1-TRICHLOROTRIFLUOROETHANE - + - + C2H3F3 1,1,1-TRIFLUOROETHANE - + - + C2H2CL4-D1 1,1,1,2-TETRACHLOROETHANE - + - + C2H2F4 1,1,1,2-TETRAFLUOROETHANE - + - + C2H3CL3 1,1,2-TRICHLOROETHANE - + - + C2H2CL4-D2 1,1,2,2-TETRACHLOROETHANE - + - + C2H2F4-D1 1,1,2,2-TETRAFLUOROETHANE - + - + C2H4BR2 1,2-DIBROMOETHANE - + - + C2BR2F4 1,2-DIBROMOTETRAFLUOROETHANE - + - + C2H4CL2-2 1,2-DICHLOROETHANE - + - + C6H14O2-D5 1,2-DIETHOXYETHANE - + - + C4H10O2 1,2-DIMETHOXYETHANE - + - + C2H2CLF3 2-CHLORO-1,1,1-TRIFLUOROETHANE - + - + C3H8S METHYL-ETHYL-SULFIDE - + - + C2H5BR ETHYL-BROMIDE - + - + C2CLF5 CHLOROPENTAFLUOROETHANE - + - + C2H5F ETHYL-FLUORIDE - + - + C2CL6 HEXACHLOROETHANE - + - + C2F6 PERFLUOROETHANE - + - + C3H8O-3 METHYL-ETHYL-ETHER - + - + C2H5NO2 NITROETHANE - + - + C2HCL5 PENTACHLOROETHANE - + - + C2H2O2 GLYOXAL - + - + C6H10O4-D2 DIETHYL-OXALATE - + - + C4H6O4-1 DIMETHYL-OXALATE - + - + C2H4O3-D2 PERACETIC-ACID - + - + C2H5CLO2S ETHANESULFONYL-CHLORIDE - + - + C2H6S-1 ETHYL-MERCAPTAN - + - + C2H6O-2 ETHANOL - + - + C4H10O-4 TERT-BUTYL-ALCOHOL - + - + C4H11NO2-2 DIGLYCOLAMINE - + - + C10H20O4 DIGLYCOL-MONOBUTYL-ETHERACETATE - + - + C6H14O3-D3 2-2-ETHOXYETHOXY-ETHANOL - + - + C8H16O4 2-2-ETHOXYETHOXY-ETHYL-ACETATE - + - + C5H12O3 2-2-METHOXYETHOXY-ETHANOL - + - + C6H15NO-D1 DIETHYLETHANOLAMINE - + - + C4H11NO DIMETHYLETHANOLAMINE - + - + C4H10OS ETHYLTHIOETHANOL - + - + C8H18O2-D1 2-HEXOXYETHANOL - + - + C3H9NO METHYL-ETHANOLAMINE - + - + C10H22O4-D1 TRIETHYLENE-GLYCOL-BUTYL-ETHER - + - + C8H18O4-D1 TRIETHYLENE-GLYCOL-ETHYL-ETHER - + - + C4H12N2O N-AMINOETHYL-ETHANOLAMINE - + - + C2H5CLO 2-CHLOROETHANOL - + - + C4H10O2-D4 2-ETHOXYETHANOL - + - + C2H6OS-D1 2-MERCAPTOETHANOL - + - + C3H8O2 2-METHOXYETHANOL - + - + C8H18O5 TETRAETHYLENE-GLYCOL - + - + C4H10O3 DIETHYLENE-GLYCOL - + - + C2H7NO MONOETHANOLAMINE - + - + C8H8O2-D4 2-HYDROXYACETOPHENONE - + - + C9H10O3-D1 ACETOVANILLONE - + - + C2H2CL2-D1 1,1-DICHLOROETHYLENE - + - + C2H2F2 1,1-DIFLUOROETHYLENE - + - + C2H2CL2-D3 TRANS-1,2-DICHLOROETHYLENE - + - + C2H2CL2-D2 CIS-1,2-DICHLOROETHYLENE - + - + C2HCLF2 2-CHLORO-1,1-DIFLUOROETHYLENE - + - + C2H3BR VINYL-BROMIDE - + - + C2BRF3 BROMOTRIFLUOROETHYLENE - + - + C2H3CL VINYL-CHLORIDE - + - + C2CLF3 CHLOROTRIFLUOROETHYLENE - + - + C4H8O-5 VINYL-ETHYL-ETHER - + - + C2H3F VINYL-FLUORIDE - + - + C3H6O-5 VINYL-METHYL-ETHER - + - + C2F4 PERFLUOROETHENE - + - + C4H10O-5 DIETHYL-ETHER - + - + C4H8O2-3 ETHYL-ACETATE - + - + C2H5CL ETHYL-CHLORIDE - + - + C4H7CLO2 ETHYLCHLOROACETATE - + - + C2H7N-1 ETHYL-AMINE - + - + C8H10-4 ETHYLBENZENE - + - + C2H4 ETHYLENE - + - + C3H4O3 ETHYLENE-CARBONATE - + - + C8H10O4 ETHYLENE-GLYCOL-DIACRYLATE - + - + C2H4O-2 ETHYLENE-OXIDE - + - + C2H8N2 ETHYLENEDIAMINE - + - + C2H5N ETHYLENE-IMINE - + - + C2H5SICL3 ETHYLTRICHLOROSILANE - + - + EU EUROPIUM - + - + EUBR2 EUROPIUM-DIBROMIDE - + - + EUS EUROPIUM-MONOSULFIDE - + - + EUCL3 EUROPIUM-CHLORIDE - + - + EUF3 EUROPIUM-FLUORIDE - + - + C2HF5 PENTAFLUOROETHANE - + - + FECL3 FERRIC-CHLORIDE - + - + FE2(SO4)3 DIIRON-TRISULFATE - + - + FEF2 IRON-DIFLUORIDE - + - + FESO4 FERROUS-SULFATE - + - + C16H10-D1 FLUORANTHENE - + - + C13H10 FLUORENE - + - + F2 FLUORINE - + - + F FLUORINE-MONATOMIC-GAS - + - + C-F FLUOROMETHYLIDYNE-GAS - + - + FHO3S FLUOROSULFONIC-ACID - + - + CH2O FORMALDEHYDE - + - + CH3NO FORMAMIDE - + - + C5H11NO TERT-BUTYLFORMAMIDE - + - + C2H5NO-D2 N-METHYLFORMAMIDE - + - + C3H7NO N,N-DIMETHYLFORMAMIDE - + - + CH2O2 FORMIC-ACID - + - + C5H10O2-D7 TERT-BUTYL-FORMATE - + - + C5H10O2-D1 N-BUTYL-FORMATE - + - + C7H12O2-D4 CYCLOHEXYL-FORMATE - + - + C3H4O2-2 VINYL-FORMATE - + - + C3H6O2-2 ETHYL-FORMATE - + - + C8H16O2-D5 N-HEPTYL-FORMATE - + - + C7H14O2-D8 N-HEXYL-FORMATE - + - + C9H18O2-D2 N-OCTYL-FORMATE - + - + C6H12O2-E1 N-PENTYL-FORMATE - + - + C8H8O2-D3 BENZYL-FORMATE - + - + C4H8O2-6 N-PROPYL-FORMATE - + - + CHO FORMYL-GAS - + - + C4H4O4-D1 FUMARIC-ACID - + - + C4H2N2-D1 FUMARONITRILE - + - + C4H4O FURAN - + - + C4H6O-D4 2,3-DIHYDROFURAN - + - + C4H6O 2,5-DIHYDROFURAN - + - + C4H8O-4 TETRAHYDROFURAN - + - + GACL2 GALLIUM-DICHLORIDE-GAS - + - + GD GADOLINIUM - + - + GDCL3 GADOLINIUM-CHLORIDE - + - + GDF3 GADOLINIUM-FLUORIDE - + - + GDI3 GADOLINIUM-IODIDE - + - + GA GALLIUM - + - + GAF2 GALLIUM-DIFLUORIDE-GAS - + - + GACL GALLIUM-MONOCHLORIDE-GAS - + - + GAF GALLIUM-MONOFLUORIDE-GAS - + - + GATE GALLIUM-MONOTELLURIDE - + - + GAO GALLIUM-MONOXIDE-GAS - + - + GABR3 GALLIUM-BROMIDE - + - + GACL3 GALLIUM-TRICHLORIDE - + - + GAF3 GALLIUM-FLUORIDE - + - + GAI3 GALLIUM-IODIDE - + - + GECL3 GERMANIUM-TRICHLORIDE-GAS - + - + GEH4 GERMANIUM-TETRAHYDRIDE - + - + GE GERMANIUM - + - + GECL2 GERMANIUM-DICHLORIDE-GAS - + - + GEF2 GERMANIUM-DIFLUORIDE-GAS - + - + GEO2 GERMANIUM-DIOXIDE - + - + GESE2 GERMANIUM-DISELENIDE - + - + GEF GERMANIUM-MONOFLUORIDE-GAS - + - + GESE GERMANIUM-MONOSELENIDE - + - + GES GERMANIUM-MONOSULFIDE - + - + GETE GERMANIUM-MONOTELLURIDE - + - + GEO GERMANIUM-MONOXIDE-GAS - + - + GEBR4 GERMANIUM-TETRABROMIDE-GAS - + - + GECL4 GERMANIUM-TETRACHLORIDE-GAS - + - + GEF4 GERMANIUM-TETRAFLUORIDE-GAS - + - + GEI4 GERMANIUM-TETRAIODIDE-GAS - + - + C6H12O6 DEXTROSE - + - + C5H8O2-D6 GLUTARALDEHYDE - + - + C5H6N2 GLUTARONITRILE - + - + C3H6O2-D2 2,3-EPOXY-1-PROPANOL - + - + C2H5NO2-D1 GLYCINE - + - + AU GOLD - + - + H3PO3 PHOSPHOROUS-ACID - + - + HAFNIUM HAFNIUM - + - + HFO2 HAFNIUM-DIOXIDE - + - + HFN HAFNIUM-NITRIDE - + - + HFBR4 HAFNIUM-TETRABROMIDE - + - + HFCL4 HAFNIUM-TETRACHLORIDE - + - + HFI4 HAFNIUM-TETRAIODIDE - + - + C2HBRCLF3 HALOTHANE - + - + HE HE-4 HELIUM @@ -7669,621 +7669,621 @@ - + - + C17H36 N-HEPTADECANE - + - + C17H34O2 N-HEPTADECANOIC-ACID - + - + C7H14O-D1 1-HEPTANAL - + - + C7H16-1 N-HEPTANE - + - + C7H15BR 1-BROMOHEPTANE - + - + C8H18-2 2-METHYLHEPTANE - + - + C9H20-E1 2,2-DIMETHYLHEPTANE - + - + C9H20-E2 2,6-DIMETHYLHEPTANE - + - + C9H20-E5 3-ETHYLHEPTANE - + - + C8H18-3 3-METHYLHEPTANE - + - + C8H16-D1 2-ETHYL-1-HEXENE - + - + C10H22-2 3,3,5-TRIMETHYLHEPTANE - + - + C8H18-4 4-METHYLHEPTANE - + - + C7F16 PERFLUORO-N-HEPTANE - + - + C7H12O4-D1 PIMELIC-ACID - + - + C7H14O2-D3 N-HEPTANOIC-ACID - + - + S7 SULFUR-7-ATOMIC-GAS - + - + C16H34 N-HEXADECANE - + - + C16H32O2 N-HEXADECANOIC-ACID - + - + C6H12O6-D1 INOSITOL - + - + C6H18O3SI3 HEXAMETHYLCYCLOTRISILOXANE - + - + C6H12N4 HEXAMETHYLENETETRAMINE - + - + C6H12O-D2 1-HEXANAL - + - + C8H16O 2-ETHYLHEXANAL - + - + C7H14O-E3 2-METHYLHEXANAL - + - + C6H14-1 N-HEXANE - + - + C6H13I N-HEXYL-IODIDE - + - + C12H26O-1 DIHEXYLETHER - + - + C7H16-2 2-METHYLHEXANE - + - + C8H18-5 2,2-DIMETHYLHEXANE - + - + C9H20-2 2,2,3-TRIMETHYLHEXANE - + - + C10H22-3 2,2,3,3-TETRAMETHYLHEXANE - + - + C9H20-3 2,2,4-TRIMETHYLHEXANE - + - + C9H20-4 2,2,5-TRIMETHYLHEXANE - + - + C10H22-4 2,2,5,5-TETRAMETHYLHEXANE - + - + C8H18-6 2,3-DIMETHYLHEXANE - + - + C8H18-7 2,4-DIMETHYLHEXANE - + - + C9H20-D4 2,4,4-TRIMETHYLHEXANE - + - + C8H18-8 2,5-DIMETHYLHEXANE - + - + C8H18-11 3-ETHYLHEXANE - + - + C7H16-3 3-METHYLHEXANE - + - + C8H18-9 3,3-DIMETHYLHEXANE - + - + C8H18-10 3,4-DIMETHYLHEXANE - + - + C6H8N2-D1 ADIPONITRILE - + - + C6H10O4-D1 ADIPIC-ACID - + - + C18H34O4-D2 DIHEXYL-ADIPATE - + - + C22H42O4-D1 DIOCTYLADIPATE - + - + C6H11N HEXANENITRILE - + - + C6H12O2-D5 N-HEXANOIC-ACID - + - + C8H16O2-D6 2-ETHYL-HEXANOIC-ACID - + - + C8H16O2-D4 N-HEXYL-ACETATE - + - + HO-1 HOLMIUM - + - + HOCL3 HOLMIUM-CHLORIDE - + - + HOF3 HOLMIUM-FLUORIDE - + - + H4N2 HYDRAZINE - + - + C12H12N2-D2 HYDRAZOBENZENE - + - + CH6N2 METHYL-HYDRAZINE - + - + C6H8N2-D5 PHENYLHYDRAZINE - + - + DCL HYDROGEN-CHLORIDE-D1-GAS - + - + DF HYDROGEN-FLUORIDE-D1-GAS - + - + H2 HYDROGEN - + - + H HYDROGEN-MONATOMIC-GAS - + - + HBR HYDROGEN-BROMIDE - + - + HCL HYDROGEN-CHLORIDE - + - + CHN HYDROGEN-CYANIDE - + - + HF HYDROGEN-FLUORIDE - + - + HI HYDROGEN-IODIDE - + - + H2O2 HYDROGEN-PEROXIDE - + - + H2SE H2SE-G HYDROGEN-SELENIDE @@ -8292,315 +8292,315 @@ - + - + H2S HYDROGEN-SULFIDE - + - + D2S HYDROGEN-SULFIDE-D2-GAS - + - + H2TE HYDROGEN-TELLURIDE-GAS - + - + C9H12O2 CUMENE-HYDROPEROXIDE - + - + C6H6O2 P-HYDROQUINONE - + - + C4H6O5-D1 MALIC-ACID - + - + OD HYDROXYL-D1-GAS - + - + OH HYDROXYL-GAS - + - + H3NO HYDROXYLAMINE - + - + HCLO HYPOCHLOROUS-ACID - + - + NH IMIDOGEN-GAS - + - + N-D IMIDOGEN-D1-GAS - + - + C9H10-E1 INDANE - + - + C9H8 INDENE - + - + IN INDIUM - + - + INBR INDIUM-MONOBROMIDE - + - + INCL INDIUM-MONOCHLORIDE - + - + INF INDIUM-MONOFLUORIDE-GAS - + - + INI INDIUM-MONOIODIDE - + - + INS INDIUM-MONOSULFIDE - + - + INTE INDIUM-MONOTELLURIDE - + - + INBR3 INDIUM-TRIBROMIDE - + - + INCL3 INDIUM-TRICHLORIDE - + - + INI3 INDIUM-TRIIODIDE - + - + C8H7N INDOLE - + - + I2 IODINE - + - + I IODINE-MONATOMIC-GAS - + - + B-I BORON-MONOIODIDE-GAS - + - + C2H5I ETHYL-IODIDE - + - + SII SILICON-IODIDE-GAS - + - + IR IRIDIUM - + - + IRO2 IRIDIUM-DIOXIDE - + - + IRO3 IRIDIUM-TRIOXIDE-GAS - + - + FE IRON - + - + FE2CL4 FE2CL6 FECL @@ -8611,45 +8611,45 @@ - + - + FECL2 FERROUS-CHLORIDE - + - + FEI2 IRON-DIIODIDE - + - + FE(OH)3 IRON-TRIHYDROXIDE - + - + FEO FERROUS-OXIDE - + - + FE2O3 FE3O4 HEMATITE @@ -8658,441 +8658,441 @@ - + - + FE(CO)5 IRON-PENTACARBONYL - + - + FEF3 IRON-TRIFLUORIDE - + - + C4H10-2 ISOBUTANE - + - + C6H12O2-2 ISOBUTYL-ACETATE - + - + C8H18O-D2 DIISOBUTYL-ETHER - + - + C5H12O-E1 METHYL-ISOBUTYL-ETHER - + - + C4H6O2-D3 CIS-CROTONIC-ACID - + - + NCO NCO-RADICAL-GAS - + - + HNCO ISOCYANIC-ACID-GAS - + - + C17H34O2-D1 ISOPROPYL-MYRISTATE - + - + C6H10O2-D5 ISOPROPYL-ACRYLATE - + - + C3H8O-2 ISOPROPYL-ALCOHOL - + - + C9H7N-D1 ISOQUINOLINE - + - + C3H3NO-D1 ISOXAZOLE - + - + C2H2O KETENE - + - + KR KRYPTON - + - + C6H8O6 ASCORBIC-ACID - + - + C5H9NO4 L-GLUTAMIC-ACID - + - + C9H11NO2 L-PHENYLALANINE - + - + C3H6O3-D1 LACTIC-ACID - + - + LA LANTHANUM - + - + LAS LANTHANUM-MONOSULFIDE - + - + LAO LANTHANUM-MONOXIDE-GAS - + - + LABR3 LANTHANUM-BROMIDE - + - + LACL3 LANTHANUM-CHLORIDE - + - + LAF3 LANTHANUM-FLUORIDE - + - + LAI3 LANTHANUM-IODIDE - + - + PB LEAD - + - + PBBR2 LEAD-DIBROMIDE - + - + PBCL2 LEAD-DICHLORIDE - + - + PBF2 LEAD-DIFLUORIDE - + - + PBI2 LEAD-DIIODIDE - + - + PBO2 LEAD-DIOXIDE - + - + PBF LEAD-MONOFLUORIDE-GAS - + - + PBSE LEAD-SELENIDE - + - + PBS LEAD-SULFIDE - + - + PBTE LEAD-TELLURIDE - + - + PBO-R LEAD-OXIDE-RED - + - + PBSIO3 LEAD-METASILICATE - + - + PBSO4 LEAD-SULFATE - + - + PBF4 LEAD-TETRAFLUORIDE-GAS - + - + LI LITHIUM - + - + LIALO2 LITHIUM-ALUMINATE - + - + LI2B4O7 DILITHIUM-TETRABORATE - + - + LIBR LITHIUM-BROMIDE - + - + LI2CO3 LITHIUM-CARBONATE - + - + LICL LITHIUM-CHLORIDE - + - + LI2 LITHIUM-DIATOMIC-GAS - + - + LI2F2 LIF DILITHIUM-DIFLUORIDE-GAS @@ -9101,27 +9101,27 @@ - + - + LI3ALF6 TRILITHIUM-HEXAFLUOROALUMINATE - + - + LIH LITHIUM-HYDRIDE - + - + LI2(OH)2 LIOH DILITHIUM-DIHYDROXIDE-GAS @@ -9130,162 +9130,162 @@ - + - + LICLO LITHIUM-HYPOCHLORITE-GAS - + - + LIFO LITHIUM-HYPOFLUORITE-GAS - + - + LII LITHIUM-IODIDE - + - + LIBO2 LITHIUM-METABORATE - + - + LIO LITHIUM-MONOXIDE-GAS - + - + LI3N TRILITHIUM-NITRIDE - + - + LICLO4 LITHIUM-PERCHLORATE - + - + LI2O2 DILITHIUM-PEROXIDE - + - + LI2SIO3 LITHIUM-METASILICATE - + - + LI2SO4 LITHIUM-SULFATE - + - + LIALF4 LITHIUM-TETRAFLUOROALUMINATEGAS - + - + LI2BEF4 DILITHIUM-TETRAFLUOROBERYLLATE - + - + LIBEF3 LITHIUM-TRIFLUOROBERYLLATE - + - + LU LUTETIUM - + - + C6H14N2O2 LYSINE - + - + MG MAGNESIUM - + - + MGAL2O4 MAGNESIUM-DIALUMINIUMTETRAOXIDE - + - + MGB2 MGB4 MAGNESIUM-DIBORIDE @@ -9294,18 +9294,18 @@ - + - + MGBR MAGNESIUM-MONOBROMIDE-GAS - + - + MG2C3 MGC2 DIMAGNESIUM-TRICARBIDE @@ -9314,324 +9314,324 @@ - + - + MGCO3 MAGNESIUM-CARBONATE - + - + MGCL MAGNESIUM-MONOCHLORIDE-GAS - + - + MGBR2 MAGNESIUM-BROMIDE - + - + MGCL2 MAGNESIUM-CHLORIDE - + - + MGI2 MAGNESIUM-IODIDE - + - + MGTI2O5 MAGNESIUM-DITITANIUM-PENTOXIDE - + - + MGF2 MAGNESIUM-FLUORIDE - + - + MGH2 MAGNESIUM-HYDRIDE - + - + MG(OH)2 MAGNESIUM-HYDROXIDE - + - + MGI MAGNESIUM-MONOIODIDE-GAS - + - + MGF MAGNESIUM-MONOFLUORIDE-GAS - + - + MGOH MAGNESIUM-MONOHYDROXIDE-GAS - + - + MGO MAGNESIUM-OXIDE - + - + MG3N2 TRIMAGNESIUM-DINITRIDE - + - + MG3(PO4)2 MAGNESIUM-ORTHOPHOSPHATE - + - + MGSO4 MAGNESIUM-SULFATE - + - + MGS MAGNESIUM-SULFIDE - + - + MGWO4 MAGNESIUM-TUNGSTATE - + - + C10H19O6PS2 MALATHION - + - + C3H4O4 MALONIC-ACID - + - + C3H2N2 MALONONITRILE - + - + MN MANGANESE - + - + MNBR2 MANGANESE-DIBROMIDE - + - + MNCL2 MANGANESE-DICHLORIDE - + - + MNF2 MANGANESE-DIFLUORIDE - + - + MNSE MANGANESE-SELENIDE - + - + MNO MANGANESE-OXIDE - + - + MNF3 MANGANESE-TRIFLUORIDE - + - + C7H8O2 P-METHOXYPHENOL - + - + DS HYDROGEN-MONOSULFIDE-D1-GAS - + - + HS HYDROGEN-MONOSULFIDE-GAS - + - + HG2CL2 DIMERCURY-DICHLORIDE - + - + HG2SO4 DIMERCURY-SULFATE - + - + HG MERCURY - + - + HGO MERCURY-OXIDE-RED - + - + HG2BR2 HGBR DIMERCURY-DIBROMIDE @@ -9640,45 +9640,45 @@ - + - + HGCL MERCURY-MONOCHLORIDE-GAS - + - + HGBR2 MERCURY-DIBROMIDE - + - + HGCL2 MERCURY-DICHLORIDE - + - + HGI2 MERCURY-DIIODIDE - + - + HG2F2 HGF HGF2 @@ -9689,18 +9689,18 @@ - + - + HGH MERCURY-MONOHYDRIDE-GAS - + - + HG2I2 HGI DIMERCURY-DIIODIDE @@ -9709,432 +9709,432 @@ - + - + C2H7N-2 DIMETHYLAMINE - + - + CH4 METHANE - + - + CH2BRCL BROMOCHLOROMETHANE - + - + CBRCLF2 BROMOCHLORODIFLUOROMETHANE - + - + CHBRF2 BROMODIFLUOROMETHANE - + - + CBRCL3 BROMOTRICHLOROMETHANE - + - + CBRF3 TRIFLUOROBROMOMETHANE - + - + CHCLF2 CHLORODIFLUOROMETHANE - + - + CH2CLF CHLOROFLUOROMETHANE - + - + C2H5CLO-D1 CHLOROMETHYL-METHYL-ETHER - + - + CCLF3 CHLOROTRIFLUOROMETHANE - + - + CH2BR2 DIBROMOMETHANE - + - + CBR2F2 DIBROMODIFLUOROMETHANE - + - + CHCL2F DICHLOROMONOFLUOROMETHANE - + - + CH2F2 DIFLUOROMETHANE - + - + CH2I2 DIIODOMETHANE - + - + C3H8O2-1 METHYLAL - + - + C2H3NO METHYL-ISOCYANATE - + - + CH3NO2 NITROMETHANE - + - + C2H4CL2O BIS-CHLOROMETHYL-ETHER - + - + CN4O8 TETRANITROMETHANE - + - + CHBR3 TRIBROMOMETHANE - + - + CHF3 TRIFLUOROMETHANE - + - + CH3CLO2S METHANESULFONYL-CHLORIDE - + - + CH4S METHYL-MERCAPTAN - + - + CH4O METHANOL - + - + CH3BR METHYL-BROMIDE - + - + CH3CL METHYL-CHLORIDE - + - + CH4SICL2 METHYL-DICHLOROSILANE - + - + CH3F METHYL-FLUORIDE - + - + C2H4O2-2 METHYL-FORMATE - + - + CH3I METHYL-IODIDE - + - + C6H12O-2 METHYL-ISOBUTYL-KETONE - + - + C4H10O-D2 METHYL-N-PROPYL-ETHER - + - + CH3 METHYL-GAS - + - + CH5N METHYL-AMINE - + - + C5H13NO2 METHYL-DIETHANOLAMINE - + - + CH2 METHYLENE-GAS - + - + CH2CL2 DICHLOROMETHANE - + - + CH METHYLIDYNE-GAS - + - + MO MOLYBDENUM - + - + MOO2 MOLYBDENUM-DIOXIDE - + - + MOO3 MOLYBDENUM-TRIOXIDE - + - + MOC MOLYBDENUM-MONOCARBIDE-GAMMA - + - + MOO2CL2 MOLYBDENUM-DICHLORIDE-DIOXIDE - + - + MO(CO)6 MOLYBDENUM-HEXACARBONYL - + - + MOO MOLYBDENUM-MONOXIDE-GAS - + - + MO2S3 MOS2 MOLYBDENUM-DISULFIDE @@ -10143,612 +10143,612 @@ - + - + C21H40O4 MONOOLEIN - + - + CLO CHLORINE-MONOXIDE-GAS - + - + S-N SULFUR-MONONITRIDE-GAS - + - + KO POTASSIUM-MONOXIDE-GAS - + - + NAO SODIUM-MONOXIDE-GAS - + - + SF SULFUR-MONOFLUORIDE-GAS - + - + C4H9NO MORPHOLINE - + - + AL6SI2O13 MULLITE - + - + C10H15N N-BUTYLANILINE - + - + C6H13N-D3 N-ETHYL-2-METHYLALLYLAMINE - + - + C7H7NO FORMANILIDE - + - + C5H9NO2 4-FORMYLMORPHOLINE - + - + C7H5N5O8 TETRYL - + - + C7H14O2-D7 N-PROPYL-ISOBUTYRATE - + - + C6H15N3 N-AMINOETHYL-PIPERAZINE - + - + C12H10N2O2-B P-NITRODIPHENYLAMINE - + - + C2H4N2 AMINOACETONITRILE - + - + C6H15NO 6-AMINOHEXANOL - + - + C10H16N2O8 ETHYLENEDIAMINETETRAACETIC-ACID - + - + C18H12-D2 NAPHTHACENE - + - + C10H8 NAPHTHALENE - + - + C10H7BR 1-BROMONAPHTHALENE - + - + C14H16 1-N-BUTYLNAPHTHALENE - + - + C10H7CL 1-CHLORONAPHTHALENE - + - + C12H12-E3 1-ETHYLNAPHTHALENE - + - + C11H10-1 1-METHYLNAPHTHALENE - + - + C16H12 1-PHENYLNAPHTHALENE - + - + C13H14 1-N-PROPYLNAPHTHALENE - + - + C12H6N2O2 1,5-NAPHTHALENE-DIISOCYANATE - + - + C12H12-E4 2-ETHYLNAPHTHALENE - + - + C11H10-2 2-METHYLNAPHTHALENE - + - + C12H12-E1 2,6-DIMETHYLNAPHTHALENE - + - + C12H12-E2 2,7-DIMETHYLNAPHTHALENE - + - + C10H18-1 CIS-DECALIN - + - + C10H18-2 TRANS-DECALIN - + - + C20H30O2-D1 NEOABIETIC-ACID - + - + ND NEODYMIUM - + - + NDBR3 NEODYMIUM-BROMIDE - + - + NDCL3 NEODYMIUM-CHLORIDE - + - + NDF3 NEODYMIUM-FLUORIDE - + - + NDI3 NEODYMIUM-IODIDE - + - + NE NEON - + - + NP NEPTUNIUM - + - + C6H5NO2-D1 NIACIN - + - + NI NICKEL - + - + NIS NICKEL-SULFIDE - + - + NIBR2 NICKEL-BROMIDE - + - + NICL2 NICKEL-CHLORIDE - + - + NIF2 NICKEL-FLUORIDE - + - + NIO NICKEL-OXIDE - + - + NIS2 NICKEL-DISULFIDE - + - + NI(CO)4 NICKEL-TETRACARBONYL-GAS - + - + NB NIOBIUM - + - + NBF5 NIOBIUM-PENTAFLUORIDE - + - + NBO NIOBIUM-MONOXIDE - + - + NBN NIOBIUM-NITRIDE - + - + NBCL5 NIOBIUM-PENTACHLORIDE - + - + NBOCL3 NIOBIUM-TRICHLORIDE-OXIDE - + - + HNO3 NITRIC-ACID - + - + NO NITRIC-OXIDE - + - + N2 NITROGEN - + - + N NITROGEN-MONATOMIC-GAS - + - + NO2 NITROGEN-DIOXIDE - + - + NCL3 NITROGEN-TRICHLORIDE - + - + NF3 NITROGEN-TRIFLUORIDE - + - + NO3 NITROGEN-TRIOXIDE-GAS - + - + NOBR NITROSYL-BROMIDE-GAS - + - + NOCL NOCL-G NITROSYL-CHLORIDE @@ -10757,1116 +10757,1116 @@ - + - + NOF NITROSYL-FLUORIDE-GAS - + - + HNO2 NITROUS-ACID - + - + N2O NITROUS-OXIDE - + - + NO2CL NITRYL-CHLORIDE-GAS - + - + C19H40 N-NONADECANE - + - + C19H38O2 NONADECANOIC-ACID - + - + C9H18O 1-NONANAL - + - + C9H20-1 N-NONANE - + - + C10H22-E2 2-METHYLNONANE - + - + C10H22-E5 5-METHYLNONANE - + - + C9H16O4 AZELAIC-ACID - + - + C9H18O2 N-NONANOIC-ACID - + - + C13H26O2-D1 N-BUTYL-NONANOATE - + - + C15H24O-D2 NONYLPHENOL - + - + C6H18N3OP HEXAMETHYL-PHOSPHORAMIDE - + - + C6H8N2O BIS-CYANOETHYL-ETHER - + - + C28H58 N-OCTACOSANE - + - + C18H38 N-OCTADECANE - + - + C18H36O2 STEARIC-ACID - + - + C22H44O2 N-BUTYL-STEARATE - + - + C4F8-D2 OCTAFLUOROCYCLOBUTANE - + - + C8H16O-E1 1-OCTANAL - + - + C8H18-1 N-OCTANE - + - + C16H34O-D1 DI-N-OCTYL-ETHER - + - + C16H34S DI-N-OCTYL-SULFIDE - + - + C9H20-D1 2-METHYLOCTANE - + - + C10H22-E1 2,2-DIMETHYL-OCTANE - + - + C10H22-D1 2,3-DIMETHYLOCTANE - + - + C10H22-D3 2,5-DIMETHYLOCTANE - + - + C10H22-D5 2,7-DIMETHYLOCTANE - + - + C9H20-D2 3-METHYLOCTANE - + - + C9H20-D3 4-METHYLOCTANE - + - + C8H14O4-D1 SUBERIC-ACID - + - + C8H16O2-D3 N-OCTANOIC-ACID - + - + S8 SULFUR-8-ATOMIC-GAS - + - + C18H34O2 OLEIC-ACID - + - + OS OSMIUM - + - + C2H2O4 OXALIC-ACID - + - + C3H3NO OXAZOLE - + - + C3H6O-D0 1,3-PROPYLENE-OXIDE - + - + C4H8O-D1 1,2-EPOXY-2-METHYLPROPANE - + - + C4H8O 1,2-EPOXYBUTANE - + - + O2 OXYGEN - + - + O OXYGEN-MONATOMIC-GAS - + - + O3 OZONE - + - + C7H8O3S P-TOLUENESULFONIC-ACID - + - + COP COBALT-MONOPHOSPHIDE - + - + PD PALLADIUM - + - + PDO PALLADIUM-OXIDE - + - + C6H12O3-D2 PARALDEHYDE - + - + C2CL5F PENTACHLOROFLUOROETHANE - + - + C15H32 N-PENTADECANE - + - + C15H30O2 PENTADECANOIC-ACID - + - + C5H8N4O12 PENTAERYTHRITOL-TETRANITRATE - + - + C16H26-D1 PENTAETHYLBENZENE - + - + C5H10O-1 VALERALDEHYDE - + - + C5H12-1 N-PENTANE - + - + C5H11CL 1-CHLOROPENTANE - + - + C10H22O-D1 DI-N-PENTYL-ETHER - + - + C6H14-2 2-METHYL-PENTANE - + - + C7H16-4 2,2-DIMETHYLPENTANE - + - + C8H18-12 2,2,3-TRIMETHYLPENTANE - + - + C9H20-6 2,2,3,3-TETRAMETHYLPENTANE - + - + C9H20-7 2,2,3,4-TETRAMETHYLPENTANE - + - + C8H18-13 2,2,4-TRIMETHYLPENTANE - + - + C9H20-8 2,2,4,4-TETRAMETHYLPENTANE - + - + C7H16-5 2,3-DIMETHYLPENTANE - + - + C8H18-14 2,3,3-TRIMETHYLPENTANE - + - + C9H20-9 2,3,3,4-TETRAMETHYLPENTANE - + - + C8H18-15 2,3,4-TRIMETHYLPENTANE - + - + C7H16-6 2,4-DIMETHYLPENTANE - + - + C7H16-8 3-ETHYLPENTANE - + - + C8H18-16 2-METHYL-3-ETHYLPENTANE - + - + C9H20-E3 2,2-DIMETHYL-3-ETHYLPENTANE - + - + C9H20-E4 2,4-DIMETHYL-3-ETHYLPENTANE - + - + C8H18-17 3-METHYL-3-ETHYLPENTANE - + - + C6H14-3 3-METHYL-PENTANE - + - + C6H12-D1 2-ETHYL-1-BUTENE - + - + C9H20-5 3,3-DIETHYLPENTANE - + - + C7H16-7 3,3-DIMETHYLPENTANE - + - + C6H8N2 METHYLGLUTARONITRILE - + - + C5H8O4 GLUTARIC-ACID - + - + C5H9N VALERONITRILE - + - + C5H10O2-1 N-VALERIC-ACID - + - + C5H8O3-D1 LEVULINIC-ACID - + - + HCLO4 PERCHLORIC-ACID - + - + CLO3F PERCHLORYL-FLUORIDE - + - + C4F8-D1 OCTAFLUORO-2-BUTENE - + - + C4F10 DECAFLUOROBUTANE - + - + C7F14 PERFLUOROMETHYLCYCLOHEXANE - + - + C14H10-2 PHENANTHRENE - + - + C6H6O PHENOL - + - + C8H10O-1 O-ETHYLPHENOL - + - + C7H8O2-E1 GUAIACOL - + - + C7H8O-3 O-CRESOL - + - + C8H10O-5 2,3-XYLENOL - + - + C8H10O-6 2,4-XYLENOL - + - + C8H10O-7 2,5-XYLENOL - + - + C8H10O-8 2,6-XYLENOL - + - + C6H5CLO-E1 M-CHLOROPHENOL - + - + C7H8O-4 M-CRESOL - + - + C8H10O-9 3,4-XYLENOL - + - + C8H10O-10 3,5-XYLENOL - + - + C11H16O P-TERT-AMYLPHENOL - + - + C14H22O P-TERT-OCTYLPHENOL - + - + C8H10O-3 P-ETHYLPHENOL - + - + C7H8O-5 P-CRESOL - + - + C15H16O2 BISPHENOL-A - + - + C10H14O P-TERT-BUTYLPHENOL - + - + C6H5SICL3 PHENYLTRICHLOROSILANE - + - + C8H6 ETHYNYLBENZENE - + - + CCL2O PHOSGENE - + - + PH3 PHOSPHINE - + - + C18H15P TRIPHENYLPHOSPHINE - + - + H3PO4 ORTHOPHOSPHORIC-ACID - + - + C3H9O4P TRIMETHYL-PHOSPHATE - + - + P-R PHOSPHORUS-RED - + - + P2 PHOSPHORUS-DIATOMIC-GAS - + - + PO2 PHOSPHORUS-DIOXIDE-GAS - + - + PN PHOSPHORUS-MONONITRIDE-GAS - + - + SIP SILICON-PHOSPHIDE - + - + PS PHOSPHORUS-MONOSULFIDE-GAS - + - + P-O PHOSPHORUS-MONOXIDE-GAS - + - + PCL5 PCL5-G PHOSPHORUS-PENTACHLORIDE @@ -11875,45 +11875,45 @@ - + - + PF5 PHOSPHORUS-PENTAFLUORIDE-GAS - + - + P4 PHOSPHORUS-4-ATOMIC-GAS - + - + PBR3 PHOSPHORUS-TRIBROMIDE-GAS - + - + POBR3 PHOSPHORUS-TRIBROMIDE-OXIDE-GAS - + - + PCL3 PCL3-G PHOSPHORUS-TRICHLORIDE @@ -11922,144 +11922,144 @@ - + - + PF3 PHOSPHORUS-TRIFLUORIDE-GAS - + - + PI3 PHOSPHORUS-TRIIODIDE-GAS - + - + POCL3 PHOSPHORUS-OXYCHLORIDE - + - + C8H4O3 PHTHALIC-ANHYDRIDE - + - + C4H10N2 PIPERAZINE - + - + C5H11N PIPERIDINE - + - + C5H10O2 NEOPENTANOIC-ACID - + - + PT PLATINUM - + - + PTO2 PLATINUM-DIOXIDE-GAS - + - + PU PLUTONIUM - + - + PUF6 PLUTONIUM-HEXAFLUORIDE - + - + PUF4 PLUTONIUM-TETRAFLUORIDE - + - + PUF3 PLUTONIUM-TRIFLUORIDE - + - + K POTASSIUM - + - + KC2H3O2 POTASSIUM-ACETATE - + - + K2B6O10 K2B8O13 DIPOTASSIUM-HEXABORATE @@ -12068,9 +12068,9 @@ - + - + K2BR2 KBR DIPOTASSIUM-DIBROMIDE-GAS @@ -12079,72 +12079,72 @@ - + - + KCL POTASSIUM-CHLORIDE - + - + KCN POTASSIUM-CYANIDE - + - + K2(CN)2 DIPOTASSIUM-DICYANIDE-GAS - + - + KF POTASSIUM-FLUORIDE - + - + K3ALCL6 TRIPOTASSIUMHEXACHLOROALUMINATE - + - + K3ALF6 TRIPOTASSIUMHEXAFLUOROALUMINATE - + - + KH POTASSIUM-HYDRIDE - + - + K2(OH)2 KOH DIPOTASSIUM-DIHYDROXIDE-GAS @@ -12153,1116 +12153,1116 @@ - + - + KI POTASSIUM-IODIDE - + - + KBO2 POTASSIUM-METABORATE - + - + KCLO4 POTASSIUM-PERCHLORATE - + - + K2O2 DIPOTASSIUM-PEROXIDE - + - + K2SO4 POTASSIUM-SULFATE - + - + K2S POTASSIUM-SULFIDE - + - + KO2 POTASSIUM-DIOXIDE - + - + KALCL4 POTASSIUM-TETRACHLOROALUMINATE - + - + PR PRASEODYMIUM - + - + PRO2 PRASEODYMIUM-DIOXIDE - + - + PRCL3 PRASEODYMIUM-CHLORIDE - + - + PRF3 PRASEODYMIUM-FLUORIDE - + - + PRI3 PRASEODYMIUM-IODIDE - + - + C3H6O-3 N-PROPIONALDEHYDE - + - + C4H8O-2 ISOBUTYRALDEHYDE - + - + C3H8 PROPANE - + - + C4H10O2-D8 2-METHYL-1,3-PROPANEDIOL - + - + C3H7BR-D1 1-BROMOPROPANE - + - + C3H7CL-1 PROPYL-CHLORIDE - + - + C4H9CL-D1 ISOBUTYL-CHLORIDE - + - + C5H12O-6 ETHYL-PROPYL-ETHER - + - + C3H7I-D2 N-PROPYL-IODIDE - + - + C3H7NO2-D1 1-NITROPROPANE - + - + C3H6CL2-D1 1,1-DICHLOROPROPANE - + - + C6H14O2S DI-N-PROPYL-SULFONE - + - + C6H14S-D1 DI-N-PROPYL-SULFIDE - + - + C3H6CL2 1,2-DICHLOROPROPANE - + - + C3H5CL3 1,2,3-TRICHLOROPROPANE - + - + C3H6CL2-D2 1,3-DICHLOROPROPANE - + - + C3H7BR-D2 2-BROMOPROPANE - + - + C3H7CL-2 ISOPROPYL-CHLORIDE - + - + C4H9CL-3 TERT-BUTYL-CHLORIDE - + - + C5H12O-D5 ETHYL-ISOPROPYL-ETHER - + - + C6H14O-E3 TERT-BUTYL-ETHYL-ETHER - + - + C3H7I-D1 ISOPROPYL-IODIDE - + - + C4H10O-D1 METHYL-ISOPROPYL-ETHER - + - + C5H12O-D2 METHYL-TERT-BUTYL-ETHER - + - + C5H12S-D1 METHYL-T-BUTYL-SULFIDE - + - + C3H7NO2-D2 2-NITROPROPANE - + - + C5H12-3 2,2-DIMETHYL-PROPANE - + - + C3F8 OCTAFLUOROPROPANE - + - + C7H12O4 DIETHYL-MALONATE - + - + C3H5N PROPIONITRILE - + - + C3H5NO-D2 HYDRACRYLONITRILE - + - + C3H5NO LACTONITRILE - + - + C4H7NO-D1 ACETONE-CYANOHYDRIN - + - + C4H7N-D0 ISOBUTYRONITRILE - + - + C3H6O2-1 PROPIONIC-ACID - + - + C5H10O3-D2 ETHYL-LACTATE - + - + C4H8O3 METHYL-LACTATE - + - + C4H8O2-4 ISOBUTYRIC-ACID - + - + C8H16O2-D2 ISOBUTYL-ISOBUTYRATE - + - + C6H12O2-4 ETHYL-ISOBUTYRATE - + - + C5H10O2-6 METHYL-ISOBUTYRATE - + - + C6H10O3-D2 PROPIONIC-ANHYDRIDE - + - + C7H14O2-D1 N-BUTYL-PROPIONATE - + - + C5H8O2-D5 VINYL-PROPIONATE - + - + C5H10O2-4 ETHYL-PROPIONATE - + - + C4H8O2-5 METHYL-PROPIONATE - + - + C6H12O2-5 N-PROPYL-PROPIONATE - + - + C3H6-2 PROPYLENE - + - + C3H3F3 3,3,3-TRIFLUOROPROPENE - + - + C3F6 HEXAFLUOROPROPYLENE - + - + C7H14O3 ETHYL-3-ETHOXYPROPIONATE - + - + C4H6O3-D1 PROPYLENE-CARBONATE - + - + C3H6O-4 PROPYLENE-OXIDE - + - + C3H4-2 METHYL-ACETYLENE - + - + PA PROTACTINIUM - + - + C4H4N2-D1 PYRAZINE - + - + C16H10-D2 PYRENE - + - + C4H4N2-D2 PYRIDAZINE - + - + C5H5N PYRIDINE - + - + C6H7N-D1 2-METHYLPYRIDINE - + - + C7H9N-1 2,3-DIMETHYLPYRIDINE - + - + C8H11N-D1 2,4,6-TRIMETHYLPYRIDINE - + - + C7H9N-2 2,5-DIMETHYLPYRIDINE - + - + C7H9N-D2 2,6-DIMETHYLPYRIDINE - + - + C6H7N-D2 3-METHYLPYRIDINE - + - + C7H9N-3 3,4-DIMETHYLPYRIDINE - + - + C7H9N-4 3,5-DIMETHYLPYRIDINE - + - + C6H7N-2 4-METHYLPYRIDINE - + - + C4H5N-2 PYRROLE - + - + C4H9N PYRROLIDINE - + - + C5H11N-D0 N-METHYLPYRROLIDINE - + - + C3H4O3-D1 PYRUVIC-ACID - + - + C9H7N-D2 QUINOLINE - + - + C10H9N QUINALDINE - + - + C6H6O2-E2 1,3-BENZENEDIOL - + - + RE RHENIUM - + - + REO3 RHENIUM-TRIOXIDE - + - + RH RHODIUM - + - + RHO2 RHODIUM-DIOXIDE-GAS - + - + RB RUBIDIUM - + - + RBBR RUBIDIUM-BROMIDE - + - + RBCL RUBIDIUM-CHLORIDE - + - + RBF RUBIDIUM-FLUORIDE - + - + RBI RUBIDIUM-IODIDE - + - + RU RUTHENIUM - + - + RUO2 RUTHENIUM-DIOXIDE - + - + RUO3 RUTHENIUM-TRIOXIDE-GAS - + - + SI2 SILICON-DIATOMIC-GAS - + - + SM SAMARIUM - + - + SMCL2 SAMARIUM-DICHLORIDE - + - + SMCL3 SAMARIUM-TRICHLORIDE - + - + SC SCANDIUM - + - + SCF3 SCANDIUM-FLUORIDE - + - + SE3 SELENIUM-TRIATOMIC-GAS - + - + SE4 SELENIUM-4-ATOMIC-GAS - + - + SEF5 SELENIUM-PENTAFLUORIDE-GAS - + - + C5H10O2-D6 SEC-BUTYL-FORMATE - + - + SE SELENIUM - + - + SEBR2 SELENIUM-DIBROMIDE-GAS - + - + SECL2 SELENIUM-DICHLORIDE-GAS - + - + SEF2 SELENIUM-DIFLUORIDE-GAS - + - + SE2 SELENIUM-DIATOMIC-GAS - + - + SEO2 SELENIUM-DIOXIDE - + - + SEF6 SELENIUM-HEXAFLUORIDE-GAS - + - + SE6 SELENIUM-6-ATOMIC-GAS - + - + SEO SELENIUM-OXIDE-GAS - + - + SE5 SELENIUM-5-ATOMIC-GAS - + - + SECL4 SELENIUM-TETRACHLORIDE - + - + SEF4 SELENIUM-TETRAFLUORIDE-GAS - + - + C6H19NSI2 HEXAMETHYLDISILAZANE - + - + SIH4 SIH4-G SILANE @@ -13271,81 +13271,81 @@ - + - + C2H3SICL3 VINYLTRICHLOROSILANE - + - + C2H7SICL DIMETHYLCHLOROSILANE - + - + C3H9SICL TRIMETHYLCHLOROSILANE - + - + C2H6SICL2 DIMETHYLDICHLOROSILANE - + - + C7H8SICL2 PHENYLMETHYLDICHLOROSILANE - + - + C4H12SIO2 DIMETHYLDIMETHOXYSILANE - + - + C2H8SI DIMETHYL-SILANE - + - + CH6SI METHYL-SILANE - + - + SICL4 SICL4-G SILICON-TETRACHLORIDE @@ -13354,108 +13354,108 @@ - + - + C8H20SI TETRAETHYL-SILANE - + - + C4H12SI TETRAMETHYLSILANE - + - + CH3SICL3 METHYL-TRICHLOROSILANE - + - + C3H10SI TRIMETHYL-SILANE - + - + SI SILICON - + - + SII4 SILICON-TETRAIODIDE - + - + SIO2 SILICON-DIOXIDE - + - + SIC SILICON-CARBIDE - + - + SIS SILICON-SULFIDE-GAS - + - + SIO SILICON-OXIDE-GAS - + - + SIBR4 SILICON-TETRABROMIDE - + - + SIF4 SIF4-G SILICON-TETRAFLUORIDE @@ -13464,108 +13464,108 @@ - + - + AG SILVER - + - + AGBR SILVER-BROMIDE - + - + AGCL SILVER-CHLORIDE - + - + AGCN SILVER-CYANIDE - + - + AGI SILVER-IODIDE - + - + AGF SILVER-FLUORIDE - + - + SIH SILICON-HYDRIDE-GAS - + - + SIF SILICON-FLUORIDE-GAS - + - + NA SODIUM - + - + NAALO2 SODIUM-ALUMINATE - + - + NA2B4O7 DISODIUM-TETRABORATE - + - + NA2BR2 NABR DISODIUM-DIBROMIDE-GAS @@ -13574,27 +13574,27 @@ - + - + NA2CO3 SODIUM-CARBONATE - + - + NACL SODIUM-CHLORIDE - + - + NA2(CN)2 NACN DISODIUM-DICYANIDE-GAS @@ -13603,36 +13603,36 @@ - + - + NAF SODIUM-FLUORIDE - + - + NA3ALCL6 TRISODIUM-HEXACHLOROALUMINATE - + - + NAH SODIUM-HYDRIDE - + - + NA2(OH)2 NAOH DISODIUM-DIHYDROXIDE-GAS @@ -13641,81 +13641,81 @@ - + - + NAI SODIUM-IODIDE - + - + NABO2 SODIUM-METABORATE - + - + NACHO2 SODIUM-FORMATE - + - + NA4SIO4 SODIUM-ORTHOSILICATE - + - + NACLO4 SODIUM-PERCHLORATE - + - + NA2O2 SODIUM-PEROXIDE - + - + NA2SIO3 SODIUM-SILICATE - + - + NA2SO4 SODIUM-SULFATE - + - + NA2S NA2S2 DISODIUM-DISULFIDE @@ -13724,216 +13724,216 @@ - + - + NAO2 SODIUM-SUPEROXIDE - + - + NAALCL4 SODIUM-TETRACHLOROALUMINATE - + - + NA2WO4 SODIUM-TUNGSTATE - + - + C6H14O6 SORBITOL - + - + SBH3 ANTIMONY-TRIHYDRIDE-GAS - + - + SR STRONTIUM - + - + SRBR2 STRONTIUM-BROMIDE - + - + SRCL2 STRONTIUM-CHLORIDE - + - + SRI2 STRONTIUM-IODIDE - + - + SRF2 STRONTIUM-FLUORIDE - + - + SR(OH)2 STRONTIUM-HYDROXIDE - + - + SRBR STRONTIUM-MONOBROMIDE-GAS - + - + SRCL STRONTIUM-MONOCHLORIDE-GAS - + - + SROH STRONTIUM-MONOHYDROXIDE-GAS - + - + SRO STRONTIUM-OXIDE - + - + SRS STRONTIUM-SULFIDE - + - + SRMOO4 STRONTIUM-MOLYBDATE - + - + SRWO4 STRONTIUM-TUNGSTATE - + - + C8H8 STYRENE - + - + C12H16-D1 P-TERT-BUTYLSTYRENE - + - + C4H4N2 SUCCINONITRILE - + - + C12H22O11 SUCROSE - + - + S SULFUR - + - + S2CL SCL DISULFUR-CHLORIDE-RADICAL-GAS @@ -13942,18 +13942,18 @@ - + - + SBR2 SULFUR-DIBROMIDE-GAS - + - + SCL2 SCL2-G SULFUR-DICHLORIDE @@ -13962,45 +13962,45 @@ - + - + SF2 SULFUR-DIFLUORIDE-GAS - + - + S2 SULFUR-DIATOMIC-GAS - + - + O2S SULFUR-DIOXIDE - + - + S2F10 DISULFUR-DECAFLUORIDE-GAS - + - + SF6 SF6-G SULFUR-HEXAFLUORIDE @@ -14009,576 +14009,576 @@ - + - + S6 SULFUR-6-ATOMIC-GAS - + - + SO SULFUR-MONOXIDE-GAS - + - + SF5 SULFUR-PENTAFLUORIDE-GAS - + - + S5 SULFUR-5-ATOMIC-GAS - + - + SF4 SULFUR-TETRAFLUORIDE-GAS - + - + SF3 SULFUR-TRIFLUORIDE-GAS - + - + S3 SULFUR-TRIATOMIC-GAS - + - + O3S SULFUR-TRIOXIDE - + - + H2SO4 SULFURIC-ACID - + - + C4H10O4S DIETHYL-SULFATE - + - + C2H6O4S DIMETHYL-SULFATE - + - + C4H10SO3 DIETHYLSULFITE - + - + SO2CL2 SULFURYL-CHLORIDE - + - + SO2F2 SULFONYL-DIFLUORIDE-GAS - + - + TA TANTALUM - + - + TA2O5 DITANTALUM-PENTOXIDE - + - + TAO2 TANTALUM-DIOXIDE-GAS - + - + TAO TANTALUM-MONOXIDE-GAS - + - + TACL5 TANTALUM-PENTACHLORIDE - + - + TAF5 TANTALUM-PENTAFLUORIDE - + - + C4H6O6 TARTARIC-ACID - + - + TEF4 TELLURIUM-TETRAFLUORIDE-GAS - + - + TEF5 TELLURIUM-PENTAFLUORIDE-GAS - + - + TC TECHNETIUM - + - + TE TELLURIUM - + - + TEF6 TELLURIUM-HEXAFLUORIDE-GAS - + - + TEO TELLURIUM-MONOXIDE-GAS - + - + TECL4 TELLURIUM-TETRACHLORIDE - + - + TB TERBIUM - + - + TBCL3 TERBIUM-TRICHLORIDE - + - + C4H10O2-D3 T-BUTYL-HYDROPEROXIDE - + - + C12H26S-E1 TERT-DODECYL-MERCAPTAN - + - + C8H18S TERT-OCTYLMERCAPTAN - + - + SB4O6 TETRAANTIMONY-HEXAOXIDE-GAS - + - + SB4S3 TETRAANTIMONY-TRISULFIDE-GAS - + - + AS4S4 TETRAARSENIC-TETRASULFIDE - + - + C2CL4 TETRACHLOROETHYLENE - + - + C30H62-D1 SQUALANE - + - + C14H30 N-TETRADECANE - + - + C14H28O2 N-TETRADECANOIC-ACID - + - + C8H23N5 TETRAETHYLENEPENTAMINE - + - + C8H20PB TETRAETHYL-LEAD - + - + N2F4 TETRAFLUOROHYDRAZINE - + - + C10H12 1,2,3,4-TETRAHYDRONAPHTHALENE - + - + C25H20 TETRAPHENYLMETHANE - + - + P4O10 TETRAPHOSPHORUS-DECAOXIDE - + - + P4S10 PHOSPHORUS-PENTASULFIDE - + - + P4S7 TETRAPHOSPHORUS-HEPTASULFIDE - + - + P4O6 TETRAPHOSPHORUS-HEXAOXIDE-GAS - + - + P4S6 TETRAPHOSPHORUS-HEXASULFIDE - + - + P4S5 TETRAPHOSPHORUS-PENTASULFIDE - + - + P4S3 TETRAPHOSPHORUS-TRISULFIDE - + - + C10H30SI4O3 DECAMETHYLTETRASILOXANE - + - + S4 SULFUR-4-ATOMIC-GAS - + - + W4O12 TETRATUNGSTEN-DODECAOXIDE-GAS - + - + TLCL THALLIUM-CHLORIDE - + - + TL THALLIUM - + - + TLBR THALLIUM-BROMIDE - + - + TLF THALLIUM-FLUORIDE - + - + TLI THALLIUM-IODIDE - + - + C3H6S TRIMETHYLENE-SULFIDE - + - + C2H4S THIACYCLOPROPANE - + - + C4H10O2S THIODIGLYCOL - + - + SOCL2 SOCL2-G SULFINYL-DICHLORIDE-GAS @@ -14587,765 +14587,765 @@ - + - + SOF2 SULFINYL-DIFLUORIDE-GAS - + - + C4H4S THIOPHENE - + - + C5H6S-E1 2-METHYLTHIOPHENE - + - + C5H6S-E2 3-METHYLTHIOPHENE - + - + C4CL4S TETRACHLOROTHIOPHENE - + - + C4H8S TETRAHYDROTHIOPHENE - + - + C5H10O2S 3-METHYL-SULFOLANE - + - + C4H8O2S SULFOLANE - + - + CH4N2S THIOUREA - + - + TH THORIUM - + - + THF2 THORIUM-DIFLUORIDE-GAS - + - + THO2 THORIUM-DIOXIDE - + - + THO THORIUM-MONOXIDE-GAS - + - + THCL4 THORIUM-TETRACHLORIDE - + - + THF3 THORIUM-TRIFLUORIDE-GAS - + - + TM THULIUM - + - + TMBR3 THULIUM-TRIBROMIDE-GAS - + - + TMCL3 THULIUM-TRICHLORIDE - + - + TMF3 THULIUM-TRIFLUORIDE - + - + TMI3 THULIUM-TRIIODIDE-GAS - + - + SNBR2 TIN-DIBROMIDE - + - + SNCL2 TIN-DICHLORIDE - + - + SNF2 TIN-DIFLUORIDE - + - + SNI2 TIN-DIIODIDE - + - + SNF TIN-MONOFLUORIDE-GAS - + - + SNSE TIN-MONOSELENIDE - + - + SNS TIN-MONOSULFIDE - + - + SNTE TIN-MONOTELLURIDE - + - + SNO TIN-MONOXIDE - + - + SNBR4 TIN-TETRABROMIDE - + - + SNCL4 TIN-TETRACHLORIDE - + - + SNI4 TIN-TETRAIODIDE - + - + TI TITANIUM - + - + TICL3 TITANIUM-TRICHLORIDE - + - + TIC TITANIUM-MONOCARBIDE - + - + TIOCL TITANIUM-CHLORIDE-OXIDE-GAS - + - + TIF2 TITANIUM-DIFLUORIDE-GAS - + - + TIO2-A TITANIUM-DIOXIDE-ANATASE - + - + TIF4 TITANIUM-TETRAFLUORIDE - + - + TIOF TITANIUM-FLUORIDE-OXIDE-GAS - + - + TIN TITANIUM-MONONITRIDE - + - + TIS TITANIUM-MONOSULFIDE - + - + TIO TITANIUM-MONOXIDE - + - + TIBR4 TITANIUM-TETRABROMIDE - + - + TICL4 TITANIUM-TETRACHLORIDE - + - + TII4 TITANIUM-TETRAIODIDE - + - + TIF3 TITANIUM-TRIFLUORIDE - + - + C7H8 TOLUENE - + - + SB3S2 TRIANTIMONY-DISULFIDE-GAS - + - + C12H27N TRIBUTYLAMINE - + - + C2CL4O TRICHLOROACETYL-CHLORIDE - + - + C2HCL3 TRICHLOROETHYLENE - + - + CCL3 TRICHLOROMETHYL-GAS - + - + CCL3F TRICHLOROFLUOROMETHANE - + - + SIHCL3 TRICHLOROSILANE - + - + CU3BR3 TRICOPPER-TRIBROMIDE-GAS - + - + CU3CL3 TRICOPPER-TRICHLORIDE-GAS - + - + CU3I3 TRICOPPER-TRIIODIDE-GAS - + - + C21H21O4P TRI-O-CRESYL-PHOSPHATE - + - + C13H26O 1-TRIDECANAL - + - + C13H28 N-TRIDECANE - + - + C13H26O2-D2 N-TRIDECANOIC-ACID - + - + C6H15NO3 TRIETHANOLAMINE - + - + C6H15O4P TRIETHYL-PHOSPHATE - + - + C6H15AL TRIETHYL-ALUMINUM - + - + C6H15N-2 TRIETHYLAMINE - + - + C6H14O4 TRIETHYLENE-GLYCOL - + - + C6H12N2-E2 TRIETHYLENEDIAMINE - + - + C6H18N4 TRIETHYLENE-TETRAMINE - + - + CF3 TRIFLUOROMETHYL-GAS - + - + LI3F3 TRILITHIUM-TRIFLUORIDE-GAS - + - + C9H4O5 TRIMELLITIC-ANHYDRIDE - + - + C3H9AL TRIMETHYLALUMINUM - + - + C3H9N-3 TRIMETHYL-AMINE - + - + C7H5N3O6 2,4,6-TRINITROTOLUENE - + - + C57H104O6 TRIOLEIN - + - + C19H16 TRIPHENYLMETHANE - + - + C18H15O4P TRIPHENYL-PHOSPHATE - + - + C9H20O4 TRIPROPYLENE-GLYCOL - + - + C8H24SI3O2 OCTAMETHYLTRISILOXANE - + - + W3O9 TRITUNGSTEN-NONAOXIDE-GAS - + - + U3O8 TRIURANIUM-OCTAOXIDEORTHORHOMBI - + - + W TUNGSTEN - + - + WBR TUNGSTEN-BROMIDE-GAS - + - + W2CL10 WCL WCL2 @@ -15356,9 +15356,9 @@ - + - + WO2CL2 WOCL4 TUNGSTEN-DICHLORIDE-DIOXIDE @@ -15367,63 +15367,63 @@ - + - + WO2I2 TUNGSTEN-DIIODIDE-DIOXIDE-GAS - + - + WO2 TUNGSTEN-DIOXIDE - + - + W(CO)6 TUNGSTEN-HEXACARBONYL - + - + WCL6 TUNGSTEN-HEXACHLORIDE - + - + WF6 TUNGSTEN-HEXAFLUORIDE-GAS - + - + WF TUNGSTEN-FLUORIDE-GAS - + - + W3O8 WO TRITUNGSTEN-OCTAOXIDE-GAS @@ -15432,297 +15432,297 @@ - + - + WBR5 TUNGSTEN-PENTABROMIDE - + - + WCL5 TUNGSTEN-PENTACHLORIDE - + - + WCL4 TUNGSTEN-TETRACHLORIDE - + - + WOF4 TUNGSTEN-TETRAFLUORIDE-OXIDE - + - + WO3 TUNGSTEN-TRIOXIDE - + - + H2WO4 TUNGSTIC-ACID - + - + C11H22O 1-UNDECANAL - + - + C11H24 N-UNDECANE - + - + C12H26-D1 3-METHYLUNDECANE - + - + C11H22O2-D3 N-UNDECANOIC-ACID - + - + U URANIUM - + - + UO2F2 URANIUM-DIFLUORIDE-DIOXIDE - + - + UO2 URANIUM-DIOXIDE - + - + UF6 URANIUM-HEXAFLUORIDE - + - + UC URANIUM-MONOCARBIDE - + - + US URANIUM-SULFIDE - + - + UBR5 URANIUM-PENTABROMIDE - + - + UF5 URANIUM-PENTAFLUORIDE - + - + UBR4 URANIUM-TETRABROMIDE - + - + UCL4 URANIUM-TETRACHLORIDE - + - + UF4 URANIUM-TETRAFLUORIDE - + - + UBR3 URANIUM-TRIBROMIDE - + - + UO3 URANIUM-TRIOXIDE-ORTHORHOMBIC - + - + CH4N2O UREA - + - + V VANADIUM - + - + VF3 VANADIUM-TRIFLUORIDE - + - + VF4 VANADIUM-TETRAFLUORIDE - + - + V2O3 DIVANADIUM-TRIOXIDE - + - + V2O5 DIVANADIUM-PENTAOXIDE - + - + VO2 VANADIUM-DIOXIDE-GAS - + - + VN VANADIUM-NITRIDE - + - + VO VANADIUM-OXIDE - + - + VCL3O VOCL3 VANADIUM-OXYTRICHLORIDE @@ -15731,198 +15731,198 @@ - + - + VCL4 VANADIUM-TETRACHLORIDE - + - + C4H6O-D2 DIVINYL-ETHER - + - + H2O WATER - + - + HDO WATER-D1-GAS - + - + XE XENON - + - + YB YTTERBIUM - + - + YBCL2 YTTERBIUM-DICHLORIDE - + - + YBCL3 YTTERBIUM-TRICHLORIDE - + - + Y YTTRIUM - + - + Y2O3 DIYTTRIUM-TRIOXIDE - + - + YCL3 YTTRIUM-TRICHLORIDE - + - + YF3 YTTRIUM-TRIFLUORIDE - + - + ZN ZINC - + - + ZNBR2 ZINC-BROMIDE - + - + ZNCL2 ZINC-CHLORIDE - + - + ZNF2 ZINC-FLUORIDE - + - + ZNI2 ZINC-IODIDE - + - + ZNO ZINC-OXIDE - + - + ZNSO4 ZINC-SULFATE - + - + ZR ZIRCONIUM - + - + ZRB2 ZIRCONIUM-DIBORIDE - + - + ZRBR2 ZRBR3 ZIRCONIUM-DIBROMIDE @@ -15931,18 +15931,18 @@ - + - + ZRC ZIRCONIUM-CARBIDE - + - + ZRCL ZRCL2 ZIRCONIUM-DICHLORIDE @@ -15951,18 +15951,18 @@ - + - + ZRO2 ZIRCONIUM-DIOXIDE - + - + ZRF ZRF2 ZIRCONIUM-DIFLUORIDE @@ -15971,18 +15971,18 @@ - + - + ZRH ZIRCONIUM-HYDRIDE-GAS - + - + ZRI ZRI2 ZRI3 @@ -15993,630 +15993,630 @@ - + - + ZRN ZIRCONIUM-NITRIDE - + - + ZRO ZIRCONIUM-MONOXIDE-GAS - + - + ZRSIO4 ZIRCONIUM-ORTHOSILICATE - + - + ZRBR4 ZIRCONIUM-TETRABROMIDE - + - + ZRCL4 ZIRCONIUM-TETRACHLORIDE - + - + ZRF4 ZIRCONIUM-TETRAFLUORIDE - + - + ZRI4 ZIRCONIUM-TETRAIODIDE - + - + ZRF3 ZIRCONIUM-TRIFLUORIDE - + - + C4H11N-1 N-BUTYL-AMINE - + - + C8H19N DIBUTYLAMINE - + - + C6H15N-D3 N,N-DIMETHYL-N-BUTYLAMINE - + - + C4H10S-D1 N-BUTYL-MERCAPTAN - + - + C4H10O-1 N-BUTANOL - + - + C5H12O-3 3-METHYL-1-BUTANOL - + - + C7H14O2-D4 ISOPENTYL-ACETATE - + - + C4H4 VINYLACETYLENE - + - + C4H8-1 1-BUTENE - + - + C5H10-5 2-METHYL-1-BUTENE - + - + C6H12-13 2,3-DIMETHYL-1-BUTENE - + - + C7H14-8 2,3,3-TRIMETHYL-1-BUTENE - + - + C5H10-7 3-METHYL-1-BUTENE - + - + C6H12-15 3,3-DIMETHYL-1-BUTENE - + - + C4H6CL2-E2 3,4-DICHLORO-1-BUTENE - + - + C4H6-1 1-BUTYNE - + - + C5H8-E2 3-METHYL-1-BUTYNE - + - + C10H23N N-DECYLAMINE - + - + C10H22S N-DECYL-MERCAPTAN - + - + C10H22O 1-DECANOL - + - + C10H20-5 1-DECENE - + - + C10H18-D1 1-DECYNE - + - + C12H27N-D0 DODECYLAMINE - + - + C12H26S N-DODECYL-MERCAPTAN - + - + C12H26O-2 DODECANOL - + - + C12H24-2 1-DODECENE - + - + C20H42O 1-EICOSANOL - + - + C20H40-D1 1-EICOSENE - + - + C9H12-5 1-METHYL-4-ETHYLBENZENE - + - + C17H36O HEPTADECANOL - + - + C17H34-D1 1-HEPTADECENE - + - + C7H17N 1-AMINOHEPTANE - + - + C7H16S N-HEPTYL-MERCAPTAN - + - + C7H16O 1-HEPTANOL - + - + C7H14-7 1-HEPTENE - + - + C8H16-E2 2-METHYL-1-HEPTENE - + - + C8H16-D10 6-METHYL-1-HEPTENE - + - + C7H12-D1 1-HEPTYNE - + - + C16H34O 1-HEXADECANOL - + - + C16H32-2 1-HEXADECENE - + - + C6H15N-D2 N-HEXYLAMINE - + - + C16H35N-D2 DI-2-ETHYLHEXYLAMINE - + - + C6H14S N-HEXYLMERCAPTAN - + - + C6H14O-1 1-HEXANOL - + - + C8H18O-3 2-ETHYLHEXANOL - + - + C6H12-3 1-HEXENE - + - + C7H14-E9 2-METHYL-1-HEXENE - + - + C7H14-E10 3-METHYL-1-HEXENE - + - + C7H14-E6 4-METHYL-1-HEXENE - + - + C7H14-D3 5-METHYL-1-HEXENE - + - + C6H10-E2 1-HEXYNE - + - + C6H14O2-D6 1-ISOPROPOXY-2-PROPANOL - + - + C10H14-5 1-METHYL-2-ISOPROPYLBENZENE - + - + C10H14-6 1-METHYL-3-ISOPROPYLBENZENE - + - + C19H40O 1-NONADECANOL - + - + C19H38-D1 1-NONADECENE - + - + C9H21N-D1 N-NONYLAMINE - + - + C9H20S N-NONYL-MERCAPTAN - + - + C9H20O-D2 1-NONANOL - + - + C9H18-3 1-NONENE - + - + C10H20-D5 2-METHYL-1-NONENE - + - + C9H16 C9H16-D1 1-NONYNE @@ -16625,5103 +16625,5103 @@ - + - + C18H38O 1-OCTADECANOL - + - + C18H36-1 1-OCTADECENE - + - + C8H19N-D0 N-OCTYLAMINE - + - + C24H51N TRI-N-OCTYLAMINE - + - + C16H35N-D1 DI-N-OCTYLAMINE - + - + C8H18S-D1 N-OCTYL-MERCAPTAN - + - + C8H18O-1 1-OCTANOL - + - + C8H16-16 1-OCTENE - + - + C9H18-D2 2-METHYL-1-OCTENE - + - + C9H18-D3 7-METHYL-1-OCTENE - + - + C8H14-D1 1-OCTYNE - + - + C15H32O 1-PENTADECANOL - + - + C15H30-2 1-PENTADECENE - + - + C5H13N N-PENTYLAMINE - + - + C10H23N-D1 DIAMYLAMINE - + - + C15H33N TRIAMYLAMINE - + - + C5H12S 1-PENTANETHIOL - + - + C5H12O-1 1-PENTANOL - + - + C6H14O-D5 3-METHYL-1-PENTANOL - + - + C5H6-E2 1-PENTENE-3-YNE - + - + C5H10-2 1-PENTENE - + - + C6H12-D2 2-METHYL-1-PENTENE - + - + C8H16-D4 2,4,4-TRIMETHYL-1-PENTENE - + - + C7H14-E8 3-ETHYL-1-PENTENE - + - + C6H12-E3 3-METHYL-1-PENTENE - + - + C6H12-D3 4-METHYL-1-PENTENE - + - + C5H8-5 1-PENTYNE - + - + C9H12O-D2 1-PHENYL-2-PROPANOL - + - + C18H30 N-DODECYLBENZENE - + - + C6H14N2O N-2-HYDROXYETHYL-PIPERAZINE - + - + C3H9N-1 N-PROPYL-AMINE - + - + C4H11N-2 ISOBUTYL-AMINE - + - + C8H19N-D1 DIISOBUTYLAMINE - + - + C9H21N-D2 TRIPROPYLAMINE - + - + C6H15N-1 DIPROPYLAMINE - + - + C3H8S-E1 N-PROPYLMERCAPTAN - + - + C4H10S-E2 ISOBUTYL-MERCAPTAN - + - + C3H8O-1 1-PROPANOL - + - + C4H10O-3 ISOBUTANOL - + - + C5H12O-5 2,2-DIMETHYL-1-PROPANOL - + - + C3H6CL2O-D2 2,3-DICHLORO-1-PROPANOL - + - + C3H9NO-D2 3-AMINO-1-PROPANOL - + - + C3H5CL-D0 2-CHLOROPROPENE - + - + C4H8-5 ISOBUTYLENE - + - + C3H5CL ALLYL-CHLORIDE - + - + C6H14O2-D7 PROPYLENE-GLYCOL-N-PROPYL-ETHER - + - + C3H3CL PROPARGYL-CHLORIDE - + - + C14H31N TETRADECYLAMINE - + - + C14H30O 1-TETRADECANOL - + - + C14H28-2 1-TETRADECENE - + - + C12H11N3-E2 1,3-DIPHENYLTRIAZENE - + - + C13H28O 1-TRIDECANOL - + - + C13H26-2 1-TRIDECENE - + - + C11H25N UNDECYLAMINE - + - + C11H24S UNDECYL-MERCAPTAN - + - + C11H24O 1-UNDECANOL - + - + C11H22-2 1-UNDECENE - + - + C7H16O-D3 2-METHYL-1-HEXANOL - + - + C6H13N-D2 HEXAMETHYLENEIMINE - + - + C10H10-D2 1-METHYLINDENE - + - + C3H4N2 PYRAZOLE - + - + C5H7N N-METHYLPYRROLE - + - + C6H10O4 ETHYLIDENE-DIACETATE - + - + C2H3CL2F 1,1-DICHLORO-1-FLUOROETHANE - + - + C14H14-D1 1,1-DIPHENYLETHANE - + - + C10H20-D3 1,1-DIETHYLCYCLOHEXANE - + - + C12H22 BICYCLOHEXYL - + - + C3H3F5 1,1,1,2,2-PENTAFLUOROPROPANE - + - + C3H2F6 1,1,1,2,3,3-HEXAFLUOROPROPANE - + - + C3HF7 1,1,1,2,3,3,3-HEPTAFLUOROPROPANE - + - + C2H3F3-D1 1,1,2-TRIFLUOROETHANE - + - + C8H16-9 1,1,2-TRIMETHYLCYCLOPENTANE - + - + C2H2BR4 1,1,2,2-TETRABROMOETHANE - + - + C6H8N2-D3 O-PHENYLENEDIAMINE - + - + C8H6O4-D2 PHTHALIC-ACID - + - + C16H22O4-D1 DIISOBUTYL-PHTHALATE - + - + C28H46O4-D1 DI-N-DECYL-PHTHALATE - + - + C22H34O4 DIHEPTYL-PHTHALATE - + - + C20H30O4 DI-N-HEXYL-PHTHALATE - + - + C26H42O4 DI-N-NONYL-PHTHALATE - + - + C14H18O4 DIPROPYL-PHTHALATE - + - + C6H6O2-E1 1,2-BENZENEDIOL - + - + C10H14O2 P-TERT-BUTYLCATECHOL - + - + C4H6-3 1,2-BUTADIENE - + - + C5H8-7 3-METHYL-1,2-BUTADIENE - + - + C4H10O2-D6 1,2-BUTANEDIOL - + - + C2H4F2-D1 1,2-DIFLUOROETHANE - + - + C4H13N3 DIETHYLENE-TRIAMINE - + - + C6H16N2-D1 TETRAMETHYLETHYLENEDIAMINE - + - + C2H6O2 ETHYLENE-GLYCOL - + - + C6H10O4-D3 ETHYLENE-GLYCOL-DIACETATE - + - + C2H4N2O6 ETHYLENE-GLYCOL-DINITRATE - + - + C2H6S2-D1 1,2-ETHANEDITHIOL - + - + C6H10-D4 1,2-HEXADIENE - + - + C5H8-2 1,2-PENTADIENE - + - + C3H4-1 PROPADIENE - + - + C3H10N2 1,2-PROPANEDIAMINE - + - + C3H7CLO2 3-CHLORO-1,2-PROPANEDIOL - + - + C6H6O3 1,2,3-BENZENETRIOL - + - + C6H8O7 CITRIC-ACID - + - + C3H8O3 GLYCEROL - + - + C9H14O6 GLYCERYL-TRIACETATE - + - + C3H5N3O9 NITROGLYCERINE - + - + C10H20-D4 1,2,3,4-TETRAMETHYLCYCLOHEXANE - + - + C9H6O6 TRIMELLITIC-ACID - + - + C10H6O8 PYROMELLITIC-ACID - + - + C6H8N2-D2 M-PHENYLENEDIAMINE - + - + C7H10N2-D1 2,6-DIAMINOTOLUENE - + - + C7H10N2 TOLUENEDIAMINE - + - + C8H4CL2O2 ISOPHTHALOYL-CHLORIDE - + - + C8H6O4-D1 ISOPHTHALIC-ACID - + - + C10H10O4-D3 DIMETHYL-ISOPHTHALATE - + - + C4H6-4 1,3-BUTADIENE - + - + C4CL6 HEXACHLORO-1,3-BUTADIENE - + - + C5H8-6 2-METHYL-1,3-BUTADIENE - + - + C6H10-E3 2,3-DIMETHYL-1,3-BUTADIENE - + - + C4H10O2-D1 1,3-BUTANEDIOL - + - + C6H8-E1 1,3-CYCLOHEXADIENE - + - + C10H16-E4 ALPHA-TERPINENE - + - + C5H6 CYCLOPENTADIENE - 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+ - + C4H10S-D2 TERT-BUTYL-MERCAPTAN - + - + C3H9NO-D1 1-AMINO-2-PROPANOL - + - + C3H6CL2O-D1 1,3-DICHLORO-2-PROPANOL - + - + C3H6O2-D1 ACETOL - + - + C3F6O HEXAFLUOROACETONE - + - + C3H7N ALLYLAMINE - + - + C6H11N-D1 DIALLYLAMINE - + - + C9H15N TRIALLYLAMINE - + - + C3H6O-2 ALLYL-ALCOHOL - + - + C3H4O ACROLEIN - + - + C4H6O-D3 METHACROLEIN - + - + C3H3N ACRYLONITRILE - + - + C4H5N METHACRYLONITRILE - + - + C3H4O2-1 ACRYLIC-ACID - + - + C7H12O2-D5 SEC-BUTYL-ACRYLATE - + - + C11H20O2 2-ETHYLHEXYL-ACRYLATE - + - + C5H8O3 2-HYDROXYETHYL-ACRYLATE - + - + C4H6O2-D5 METHACRYLIC-ACID - + - + C8H14O2-D1 ISOBUTYL-METHACRYLATE - + - + C7H10O2 ALLYL-METHACRYLATE - + - + C6H10O2-D2 ETHYL-METHACRYLATE - + - + C5H8O2-D3 METHYL-METHACRYLATE - + - + C7H12O2-D3 N-PROPYL-METHACRYLATE - + - + C7H12O2-D2 ISOBUTYL-ACRYLATE - + - + C7H12O2-D1 N-BUTYL-ACRYLATE - + - + C5H8O2 ETHYL-ACRYLATE - + - + C4H6O2-2 METHYL-ACRYLATE - + - + C6H10O2-D3 N-PROPYL-ACRYLATE - + - + C3H4O-D0 PROPARGYL-ALCOHOL - + - + C4H7NO-D2 2-PYRROLIDONE - + - + C5H9NO-D2 N-METHYL-2-PYRROLIDONE - + - + C8H18O3 DIETHYLENE-GLYCOL-MONOBUTYLETHER - + - + C13H18O2 IBUPROFEN - + - + C9H8O 2-METHYLBENZOFURAN - + - + C6H14O2-D2 2-BUTOXYETHANOL - + - + C5H6O3 GLUTARIC-ANHYDRIDE - + - + C16H34-D1 2,2,4,4,6,8,8-HEPTAMETHYLNONANE - + - + C4H10O2-D5 2,3-BUTANEDIOL - + - + C3H4CL2 2,3-DICHLOROPROPENE - + - + C8H16-E1 2,3-DIMETHYL-1-HEXENE - + - + C5H8-E4 2,3-PENTADIENE - + - + C8H14-D3 2,5-DIMETHYL-2,4-HEXADIENE - + - + C6H10-E5 TRANS,TRANS-2,4-HEXADIENE - + - + C6H10-E4 CIS,TRANS-2,4-HEXADIENE - + - + C5H12O2-D5 2,4-PENTANEDIOL - + - + C6H14O2-D4 HEXYLENE-GLYCOL - + - + C10H22-D2 2,4-DIMETHYLOCTANE - + - + AS4O6 TETRAARSENIC-HEXAOXIDE-GAS - + - + C4H6O2S SULFOLENE - + - + C4H2O3 MALEIC-ANHYDRIDE - + - + C5H4O3 METHYL-MALEIC-ANHYDRIDE - + - + C4H4O3 SUCCINIC-ANHYDRIDE - + - + C4H5NO2-D1 SUCCINIMIDE - + - + C8H18O4 TRIETHYLENE-GLYCOL-DIMETHYL-ETHER - + - + C10H22-D4 2,6-DIMETHYLOCTANE - + - + C12H8O4 2,6-NAPHTHALENEDICARBOXYLIC-ACID - + - + C5H8O-D1 METHYL-ISOPROPENYL-KETONE - + - + C4H5N-1 ALLYL-CYANIDE - + - + C8H8O-D3 M-TOLUALDEHYDE - + - + C9H10O3 ETHYL-VANILLIN - + - + C8H10O-2 M-ETHYLPHENOL - + - + C7H14O-E1 3-HEPTANONE - + - + C7H14-E5 TRANS-3-HEPTENE - + - + C6H12O 3-HEXANONE - + - + C6H12-7 TRANS-3-HEXENE - + - + C6H12-6 CIS-3-HEXENE - + - + C6H10-E7 3-HEXYNE - + - + C4H7NO-E2 3-METHOXYPROPIONITRILE - + - + C7H14O-E4 3-METHYLHEXANAL - + - + C10H22-E3 3-METHYLNONANE - + - + C8H16-D2 TRANS-3-OCTENE - + - + C8H16-D9 CIS-3-OCTENE - + - + C5H12O2-D3 ETHYLENE-GLYCOL-MONOPROPYLETHER - + - + C5H12O-D4 3-PENTANOL - + - + C6H14O-D6 3-METHYL-3-PENTANOL - + - + C5H10O-4 DIETHYL-KETONE - + - + C6H12O-E1 ETHYL-ISOPROPYL-KETONE - + - + C7H14O DIISOPROPYL-KETONE - + - + C6H10O-D0 MESITYL-OXIDE - + - + C9H12O-D4 3-PHENYL-1-PROPANOL - + - + C6H4N2 NICOTINONITRILE - + - + C3H6O2S 3-MERCAPTOPROPIONIC-ACID - + - + C12H11N-D1 P-AMINODIPHENYL - + - + C8H11NO P-PHENETIDINE - + - + C9H20O-D1 2,6-DIMETHYL-4-HEPTANOL - + - + C7H14O-E2 4-HEPTANONE - + - + C9H18O-D1 DIISOBUTYL-KETONE - + - + C6H12O2-D3 DIACETONE-ALCOHOL - + - + C10H22-E4 4-METHYLNONANE - + - + C8H16-D3 TRANS-4-OCTENE - + - + C8H16-D8 CIS-4-OCTENE - + - + C8H8O-D1 4-HYDROXYSTYRENE - + - + C10H12-D0 DICYCLOPENTADIENE - + - + C9H18O-E2 5-NONANONE - + - + C6H12O3 6-HYDROXYHEXANOIC-ACID - + - + C9H7NO 8-HYDROXYQUINOLINE - + - + C19H36O2 METHYL-OLEATE - + - + C14H8O2 ANTHRAQUINONE - + - + C18H32O2 LINOLEIC-ACID - + - + C18H30O2 LINOLENIC-ACID - + - + C3H4O2-D0 BETA-PROPIOLACTONE - + - + C29H50O SITOSTEROL - + - + C18H15PO TRIPHENYLPHOSPHINE-OXIDE - + - + C4H8O2-D3 TRANS-2-BUTENE-1,4-DIOL - + - + C14H12-D2 TRANS-STILBENE - + - + C9H10-E5 CIS-1-PROPENYLBENZENE - + - + C7H14-D1 CIS-2-HEPTENE - + - + C7H14-D2 CIS-3-HEPTENE - + - + C14H12-D1 CIS-STILBENE - + - + C10H16-D1 D-LIMONENE - + - + ALAS ALUMINIUM-ARSENIDE - + - + AL2(SO4)3 ALUMINIUM-SULFATE - + - + H3NO3S SULFAMIC-ACID - + - + SB2O5 DIANTIMONY-PENTAOXIDE - + - + AS2SE3 ARSENIC-SELENIDE - + - + AS2TE3 ARSENIC-TELLURIDE - + - + AS2O5 DIARSENIC-PENTAOXIDE - + - + AS2S3 ARSENIC-SULFIDE - + - + BACO3 BARIUM-CARBONATE - + - + BACRO4 BARIUM-CHROMATE - + - + BAH2 BARIUM-HYDRIDE - + - + BAO2 BARIUM-PEROXIDE - + - + BASO4 BARIUM-SULFATE - + - + BATIO3 BARIUM-TITANIUM-TRIOXIDE - + - + BI2O3 BISMUTH-OXIDE - + - + BI2TE3 BISMUTH-TELLURIDE - + - + BIOCL BISMUTH-CHLORIDE-OXIDE - + - + BI2SE3 BISMUTH-SELENIDE - + - + BI2S3 BISMUTH-SULFIDE - + - + CDCO3 CADMIUM-CARBONATE - + - + CD(OH)2 CADMIUM-HYDROXIDE - + - + CDSE CADMIUM-SELENIDE - + - + CDS CADMIUM-SULFIDE - + - + CDTE CADMIUM-TELLURIDE - + - + CDSO4 CADMIUM-SULFATE - + - + CA(NO3)2 CALCIUM-NITRATE - + - + CA(VO3)2 CALCIUM-METAVANADATE - + - + CAH2 CALCIUM-HYDRIDE - + - + CASE CALCIUM-SELENIDE - + - + CASO4 CALCIUM-SULFATE - + - + CASO3 CALCIUM-SULFITE - + - + CE2O3 CERIUM-OXIDE - + - + CRCL3 CHROMIUM-TRICHLORIDE - + - + CR2(SO4)3 CHROMIUM-SULFATE - + - + CRBR3 CHROMIUM-TRIBROMIDE - + - + CRI3 CHROMIUM-TRIIODIDE - + - + CRB2 CHROMIUM-DIBORIDE - + - + C7H14O-D6 CIS-3-METHYLCYCLOHEXANOL - + - + COFE2O4 COBALT-DIIRON-TETRAOXIDE - + - + COWO4 COBALT-TUNGSTATE - + - + COS2 COBALT-DISULFIDE - + - + CUFE2O4 COPPER-DIIRON-TETRAOXIDE - + - + CUSE COPPER-SELENIDE - + - + CUS COPPER-SULFIDE - + - + CU2S DICOPPER-SULFIDE - + - + CUMOO4 COPPER-MOLYBDATE - + - + CAO2 CALCIUM-PEROXIDE - + - + SRO2 STRONTIUM-PEROXIDE - + - + FE2B DIIRON-BORIDE - + - + NI2P DINICKEL-PHOSPHIDE - + - + NA2HPO4 DISODIUM-PHOSPHATE - + - + DY2O3 DYSPROSIUM-OXIDE - + - + DYBR3 DYSPROSIUM-BROMIDE-GAS - + - + ER2O3 ERBIUM-OXIDE-CUBIC - + - + ERBR3 ERBIUM-BROMIDE-GAS - + - + EU2O3 EUROPIUM-OXIDE-CUBIC - + - + GD2O3 GADOLINIUM-OXIDE-CUBIC - + - + GDBR3 GADOLINIUM-BROMIDE - + - + GA2SE3 DIGALLIUM-TRISELENIDE - + - + GA2TE3 DIGALLIUM-TRITELLURIDE - + - + GA2O3 GALLIUM-OXIDE - + - + GA2S3 DIGALLIUM-TRISULFIDE - + - + GAAS GALLIUM-ARSENIDE - + - + GAP GALLIUM-PHOSPHIDE - + - + GES2 GERMANIUM-DISULFIDE - + - + AU2O3 DIGOLD-TRIOXIDE - + - + AUI GOLD-MONOIODIDE - + - + AUCL GOLD-MONOCHLORIDE - + - + HFF4 HAFNIUM-TETRAFLUORIDE - + - + HFC HAFNIUM-CARBIDE - + - + HFB2 HAFNIUM-DIBORIDE - + - + HOBR3 HOLMIUM-BROMIDE - + - + INAS INDIUM-ARSENIDE - + - + INF3 INDIUM-TRIFLUORIDE - + - + INP INDIUM-PHOSPHIDE - + - + IRCL3 IRIDIUM-TRICHLORIDE - + - + CR2FEO4 DICHROMIUM-IRON-TETRAOXIDE - + - + FEB IRON-MONOBORIDE - + - + FE3C TRIIRON-CARBIDE - + - + LA2O3 LANTHANUM-OXIDE - + - + PBWO4 LEAD-TUNGSTATE - + - + LI2S LITHIUM-SULFIDE - + - + LU2O3 LUTETIUM-OXIDE - + - + C6H6CLN-D1 M-CHLOROANILINE - + - + C6H6N2O2-D1 M-NITROANILINE - + - + C18H14-2 M-TERPHENYL - + - + AL4MG2SI5O18 CORDIERITE - + - + MG(VO3)2 MAGNESIUM-METAVANADATE - + - + MGSE MAGNESIUM-SELENIDE - + - + MN2O3 DIMANGANESE-TRIOXIDE - + - + MN3O4 TRIMANGANESE-TETRAOXIDE - + - + MNI2 MANGANESE-DIIODIDE - + - + FE2MNO4 DIIRON-MANGANESE-TETRAOXIDE - + - + MNSO4 MANGANESE-SULFATE - + - + MNO2 MANGANESE-DIOXIDE - + - + MNS2 MANGANESE-DISULFIDE - + - + MNB2 MANGANESE-DIBORIDE - + - + MNP MANGANESE-MONOPHOSPHIDE - + - + MNS MANGANESE-MONOSULFIDE-GREEN - + - + HGS MERCURY-SULFIDE-RED - + - + HGTE MERCURY-TELLURIDE - + - + HGSE MERCURY-SELENIDE - + - + MO2C DIMOLYBDENUM-CARBIDE - + - + C8H18O-4 BUTYL-ETHER - + - + C22H46 N-DOCOSANE - + - + C12H26 N-DODECANE - + - + C17H34 N-DODECYLCYCLOPENTANE - + - + C21H44 N-HENEICOSANE - + - + C27H56 N-HEPTACOSANE - + - + C23H40 N-HEPTADECYLBENZENE - + - + C13H20 N-HEPTYLBENZENE - + - + C12H24-1 N-HEPTYLCYCLOPENTANE - + - + C26H54 N-HEXACOSANE - + - + C21H42 N-HEXADECYLCYCLOPENTANE - + - + C36H74 N-HEXATRIACONTANE - + - + C12H18-D3 N-HEXYLBENZENE - + - + C29H60 N-NONACOSANE - + - + C14H28-1 N-NONYLCYCLOPENTANE - + - + C14H22 N-OCTYLBENZENE - + - + C13H26-1 N-OCTYLCYCLOPENTANE - + - + C25H52 N-PENTACOSANE - + - + C6F14 PERFLUORO-N-HEXANE - + - + C5H10O2-3 N-PROPYL-ACETATE - + - + C10H12O2 N-PROPYL-BENZOATE - + - + C24H50 N-TETRACOSANE - + - + C19H38 N-TETRADECYLCYCLOPENTANE - + - + C30H62 N-TRIACONTANE - + - + C23H48 N-TRICOSANE - + - + C18H36-2 N-TRIDECYLCYCLOPENTANE - + - + ND2(SO4)3 NEODYMIUM-SULFATE - + - + ND2O3 NEODYMIUM-OXIDE - + - + NICO3 NICKEL-CARBONATE - + - + NII2 NICKEL-IODIDE - + - + FE2NIO4 DIIRON-NICKEL-TETRAOXIDE - + - + NISO4 NICKEL-SULFATE - + - + NBC NIOBIUM-CARBIDE - + - + C6H6CLN-D2 O-CHLOROANILINE - + - + C6H6N2O2-D2 O-NITROANILINE - + - + C18H14-1 O-TERPHENYL - + - + C6H4O2 QUINONE - + - + C6H6CLN-D3 P-CHLOROANILINE - + - + C6H5CLO-E3 P-CHLOROPHENOL - + - + C6H6N2O2-D3 P-NITROANILINE - + - + C18H14-3 P-TERPHENYL - + - + C7H9N-8 P-TOLUIDINE - + - + C8H10-3 P-XYLENE - + - + C15H16O P-CUMYLPHENOL - + - + PDCL2 PALLADIUM-CHLORIDE - + - + PDF2 PALLADIUM-FLUORIDE - + - + PDI2 PALLADIUM-IODIDE - + - + PDS PALLADIUM-SULFIDE - + - + PTCL4 PLATINUM-TETRACHLORIDE - + - + PUO2 PLUTONIUM-DIOXIDE - + - + KCLO3 POTASSIUM-CHLORATE - + - + K2CRO4 POTASSIUM-CHROMATE - + - + KH2PO4 POTASSIUM-DIHYDROGEN-PHOSPHATE - + - + KNO3 POTASSIUM-NITRATE - + - + K3PO4 POTASSIUM-PHOSPHATE - + - + K2SO3 POTASSIUM-SULFITE - + - + PR2O3 PRASEODYMIUM-OXIDE - + - + PRBR3 PRASEODYMIUM-BROMIDE - + - + REO2 RHENIUM-DIOXIDE - + - + RES2 RHENIUM-DISULFIDE - + - + RHCL3 RHODIUM-TRICHLORIDE - + - + RH2O3 DIRHODIUM-TRIOXIDE - + - + RUCL3 RUTHENIUM-TRICHLORIDE - + - + C4H8OS-D1 ETHYL-THIOLACETATE - + - + SM2O3 DISAMARIUM-TRIOXIDE-CUBIC - + - + SCCL3 SCANDIUM-CHLORIDE - + - + SC2O3 SCANDIUM-OXIDE - + - + AGNO3 SILVER-NITRATE - + - + AG2O SILVER-OXIDE - + - + AG2SE SILVER-SELENIDE - + - + AG2S SILVER-SULFIDE - + - + AG2WO4 SILVER-TUNGSTATE - + - + C7H5NAO2 SODIUM-BENZOATE - + - + NACLO3 SODIUM-CHLORATE - + - + C5H10NNAS2 SODIUM-DIETHYLDITHIOCARBAMATE - + - + NAH2PO4 MONOSODIUM-PHOSPHATE - + - + NA2MOO4 SODIUM-MOLYBDATE - + - + NANO3 SODIUM-NITRATE - + - + NANO2 SODIUM-NITRITE - + - + NA3PO4 TRISODIUM-PHOSPHATE - + - + NA2SO3 SODIUM-SULFITE - + - + NA2TE DISODIUM-TELLURIDE - + - + NA2S2O3 SODIUM-THIOSULFATE - + - + NAVO3 SODIUM-METAVANADATE - + - + SRH2 STRONTIUM-HYDRIDE - + - + TABR5 TANTALUM-PENTABROMIDE - + - + TAS2 TANTALUM-DISULFIDE - + - + TEBR4 TELLURIUM-TETRABROMIDE - + - + TEO2 TELLURIUM-DIOXIDE - + - + TBBR3 TERBIUM-TRIBROMIDE-GAS - + - + C10H20-4 TERT-BUTYLCYCLOHEXANE - + - + C9H20S-D1 TERT-NONYL-MERCAPTAN - + - + TL2O3 DITHALLIUM-TRIOXIDE - + - + TL2S THALLIUM-SULFIDE - + - + TM2O3 DITHULIUM-TRIOXIDE - + - + SNS2 TIN-DISULFIDE - + - + TIS2 TITANIUM-DISULFIDE - + - + C7H14O-D7 TRANS-3-METHYLCYCLOHEXANOL - + - + C3H10SIO3 TRIMETHOXYSILANE - + - + WC TUNGSTEN-CARBIDE - + - + WS2 TUNGSTEN-DISULFIDE - + - + UF3 URANIUM-TRIFLUORIDE - + - + UI3 URANIUM-TRIIODIDE - + - + VCL3 VANADIUM-TRICHLORIDE - + - + VCL2 VANADIUM-DICHLORIDE - + - + VB2 VANADIUM-DIBORIDE - + - + YI3 YTTRIUM-TRIIODIDE - + - + ZN3P2 TRIZINC-DIPHOSPHIDE - + - + ZN3AS2 ZINC-ARSENIDE - + - + ZNCO3 ZINC-CARBONATE - + - + FE2ZNO4 DIIRON-ZINC-TETRAOXIDE - + - + ZNP2 ZINC-DIPHOSPHIDE - + - + ZNSE ZINC-SELENIDE - + - + ZNS ZINC-SULFIDE-WURTZITE - + - + ZNTE ZINC-TELLURIDE - + - + ZRCL3 ZIRCONIUM-TRICHLORIDE diff --git a/OntoCAPE/applications/aspen_plus/aspen_plus.owl b/OntoCAPE/applications/aspen_plus/aspen_plus.owl index 2e15f7b..0b382f9 100644 --- a/OntoCAPE/applications/aspen_plus/aspen_plus.owl +++ b/OntoCAPE/applications/aspen_plus/aspen_plus.owl @@ -1,16 +1,16 @@ - - - + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -48,20 +48,20 @@ - + - - + + Component formula used in the property database of the process simulator Aspen Plus. For reference, see Aspen Physical Property System 12.1 manual. - + - - + + Component name used in the property database of the process simulator Aspen Plus. For reference, see Aspen Physical Property System 12.1 manual. @@ -69,9 +69,9 @@ - + - + @@ -86,18 +86,18 @@ - + - + - + 1 - + 1 diff --git a/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl b/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl index f5d6f46..df361f1 100644 --- a/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl +++ b/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl @@ -1,30 +1,30 @@ - - - - - - + xmlns:behavior="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#" + xmlns:geometry="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#" + xmlns:material="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/material.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/data_structures/multiset.owl#" + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#" + xmlns:space_time="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/space_and_time/space_and_time.owl#" + xmlns:phase_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#" + xmlns:network_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#" + xmlns:technical_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl#" + xmlns:coordinate_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/coordinate_system.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#"> + + + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -33,51 +33,51 @@ The ontology module 'behavior' provides concepts for the phenomenological driven behavior of chemical process systems. The following classes and relations from other ontology modules are used within 'behavior': - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/material.owl#Material"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/geometry/geometry.owl#Solid"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/geometry/geometry.owl#Surface"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/reaction_mechanism.owl#ChemicalReaction"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/space_and_time/space_and_time.owl#SpatialCoordinateSystem"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/space_and_time/space_and_time.owl#SpatialCoordinateSystemAxis"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#ChemicalComponent"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#Substance"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/data_structures/multiset.owl#Multiplicity"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/technical_system.owl#Phenomenon"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/coordinate_system.owl#CoordinateValue"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/space_and_time/space_and_time.owl#SpatialCoordinate"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/geometry/geometry.owl#Surface"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#Connection"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#PhysicalQuantity"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#IntensiveProperty"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#Device"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/material.owl#Material"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#Solid"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#Surface"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/reaction_mechanism.owl#ChemicalReaction"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/space_and_time/space_and_time.owl#SpatialCoordinateSystem"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/space_and_time/space_and_time.owl#SpatialCoordinateSystemAxis"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#ChemicalComponent"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#Substance"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/data_structures/multiset.owl#Multiplicity"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl#Phenomenon"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/coordinate_system.owl#CoordinateValue"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/space_and_time/space_and_time.owl#SpatialCoordinate"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#Surface"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#Connection"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#PhysicalQuantity"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#IntensiveProperty"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#Device"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/geometry/geometry.owl#hasShapeRepresentation"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/geometry/geometry.owl#hasSurfaceGeometry"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasProperty"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/technical_system.owl#hasPhenomenon"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isObservedAgainstBackdrop"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isValueOf"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasValue"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#leaves"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#enters"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#containsDirectly"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#hasOutput"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#hasInput"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/data_structures/multiset.owl#refersToMultiset"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectlyRelatedTo"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/data_structures/multiset.owl#indicatesMultiplicityOf"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/data_structures/multiset.owl#hasMultiplicity"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#hasShapeRepresentation"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#hasSurfaceGeometry"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasProperty"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl#hasPhenomenon"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isObservedAgainstBackdrop"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isValueOf"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasValue"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#leaves"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#enters"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#containsDirectly"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#hasOutput"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#hasInput"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/data_structures/multiset.owl#refersToMultiset"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectlyRelatedTo"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/data_structures/multiset.owl#indicatesMultiplicityOf"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/data_structures/multiset.owl#hasMultiplicity"/> The following classes and relations from the Meta Model are refined within 'mathematical_model': <owl:Class rdf:about="fc;#ValueSet"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#object-featureRelation"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#object-featureRelation"/> 2.0 @@ -111,235 +111,235 @@ The following classes and relations from other ontology modules are used within - + - - - + + + The relation hasFraction indicates the fractional amount a RepresentativeParticle may have in a DistributedMaterialAmount. - + - - - + + + The relation hasHeatDuty indicates the amount of heat absorbed by a ParticularSystem. - + - - - - + + + + The relation hasPermeability indicates whether or not a MaterialAmountConnection has a selectivity for certain ChemicalComponents. - + - - - - + + + + The relation hasPermeableChemicalComponent indicates which ChemicalComponent may pass and diffuse through a certain MaterialAmountConnection. - + - - + + The relation hasProperty assigns a particular PressureDrop to a chosen System. - + - - - + + + The relation hasRepresentativeParticle assigns a particular RepresentativeParticle to a DistributedMaterialAmount for a qualitative description of the System. - + - - + + The relation indicatesFraction refers a certain fraction to the corresponding Member. - + - - - - - + + + + + The relation isDispersedIn indicates that a quantity of particles, namely DispersedMaterialAmount, is partly or totally dispersed in a ContinuousMaterialAmount. - + - - - - + + + + The relation refersToDistributedMaterialAmount assigns a particular fractional amount for qualitative description reasons to a DistributedMaterialAmount. - + - - + + - - + + - + The relation refersToMaterial indicates the dependencies between MaterialAmount and MaterialAmountConnection respectively on the one hand and the according Material on the other hand. - + - - - - + + + + The relation surrounds describes that a ContinuousMaterialAmount surrounds a DispersedMaterialAmount. - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -354,106 +354,106 @@ The following classes and relations from other ontology modules are used within - + - - - - - - - + + + + + + + Accumulation is a MaterialAmountPhenomenon which denotes the accumulation of a certain extensive properties of the MaterialAmount considered. - + - - - + + + An AdsorptionPhenomenon is an increase in the concentration of a dissolved sub-stance at the interface of a solid and a liquid phase due to the operation of surface forces. Adsorption can also occur at the interface of a solid and a gaseous phase (McNaught & Wilkinson 1997). - + - - - - - - + + + + + + A ChemicalReactionPhenomenon is a MaterialAmountPhenomenon in which some ChemicalComponent(s) are converted into some other ChemicalComponent(s). - + - - + + A ConductiveTransportRate is the transfer of heat by direct contact of particles of matter within a phase per unit time - + - + - + - - + + - - + + - + A ContinuousMaterialAmount in a HeterogeneousMaterialAmount is the MaterialAmount in which the disperse phase is distributed, corresponding to the solvent in a true solution. - + - - + + ConvectiveExchange in the most general terms refers to the movement of molecules across the boundary of fluid phases which is the sum of advective and diffusive transport. - + - - + + A ConvectiveTransportRate in the most general terms refers to the movement of molecules within fluid phases which is the sum of advective and diffusive transport. - + - + - + - - + + @@ -463,130 +463,130 @@ The following classes and relations from other ontology modules are used within - + - - - - + + + + DynamicViscosityOfNonNewtonianFluid is a property of non-Newtonian fluids which relates shear stress to shear rate. For a non-Newtonian fluid, this property is not a constant and can be dependent on shear rate or even time. - + - - + + EnergyHoldUp refers to the accumulation of the overall energy in a material amount. - + - - + + Exchange represents the transport of matter or energy across a phase boundary. - + - - + + An ExtensiveProperty of a system depends on system size or on the amount of material in the system. - + - + - + - - + + - - + + - - + + - - + + - - + + A FilmConnection is a MaterialAmountConnection dominated by an interface molecular transport phenomenon. It is used to describe molecular transport across the phase interface between two contiguous material amounts or molecular transport through some media with negligible capacity which separates two material amounts (e.g. a membrane between two fluids). - + - - - - - + + + + + FlowPattern is a MaterialAmountPhenomenon which refers to the flow condition of a material amount. - + - - + + A FluidFilm represents a boundary layer occurring in a fluid phase which allows for conductive or diffusive transport. - + - - + + - - + + - + - - + + - + - - + + @@ -597,101 +597,101 @@ The following classes and relations from other ontology modules are used within - + - - + + GeneralizedFluxes include the variation of holdup caused by the transport in a phase or across a phase boundary was well as sources of an extensive property caused by chemical reactios or some external potential field. - + - + - + - - + + - + - - + + - + A HeatRadiationConnection is a MaterialAmountConnection whose dominating phenomenon is HeatRadiation. - + - - - + + + A HeatTransferResistance is described by the ratio between the temperature difference and the average heat flow across the interface. - + - - + + A HeterogeneousMaterialAmount is a composite material amount that involves mate-rial amounts with different dispersion states due to phases or particle size. - + - - + + HoldUpVariation refers to the accumulation of extensive properties over time and is influenced by accumulation phenomena. - + - - + + A HomogeneousMaterialAmount represents a MaterialAmount with a continuous, single phase which is not part of another more complex material amount. - + - + - + - - + + - - + + A material amount which is ideally mixed cannot have - a molecular transport phenomenon - an intensive material property which is distributed over a spatial domain @@ -699,94 +699,94 @@ The following classes and relations from other ontology modules are used within - + - - - + + + An ImpermeableValve refers to a convective mass transport where no material transport occurs at all due to a given local condition, e.g. a blockage in a pipeline. - + - - + + An InterfaceHeatTransportPhenomenon is the transfer of thermal energy or simply heat from a hotter MaterialAmount to a cooler MaterialAmount driven by the temperature difference - + - - + + A InterfaceMassTransportPhenomenon is any mechanisms by which particles or quantities move from one MaterialAmounts to another. - + - - - + + + InterfaceMolecularTransportPhenomenon subsumes transport phenomena that occur at the in-terface between two connected MaterialAmounts. - + - - - + + + An InterPhaseTransportCoefficient is any physical quantity that is forced by an interface transport phenomenon. - + - - + + IntraphaseTransport considers all variants of heat and mass transfer that can occur with a particular phase - + - - + + MassHoldUp refers to the accumulation of the overall mass covered in a material amount. - + - - + + A MassTransferCoefficient is a constant that relates the mass transfer rate to the product of mass transfer area and an appropriate driving force such as the concen-tration gradient (Seader & Henley 1998). - + - - + + - + 3 - + 0 @@ -794,48 +794,48 @@ The following classes and relations from other ontology modules are used within - - + + - - + + - - + + - - + + - - + + - - + + - + - - + + @@ -843,12 +843,12 @@ The following classes and relations from other ontology modules are used within - + - - + + @@ -856,14 +856,14 @@ The following classes and relations from other ontology modules are used within - - + + - - + + A MaterialAmount characterizes the time-variant behavior of a chunk of material. @@ -871,11 +871,11 @@ The following classes and relations from other ontology modules are used within - + - - - + + + A material amount whose intensive material amount properties are distributed on a certain spatial domain cannot be - ideally mixed - at phase equilibrium @@ -883,19 +883,19 @@ The following classes and relations from other ontology modules are used within - + - - + + - + 3 - + 0 @@ -903,36 +903,36 @@ The following classes and relations from other ontology modules are used within - - + + - - + + - - + + - - + + - + - - + + @@ -940,12 +940,12 @@ The following classes and relations from other ontology modules are used within - + - - + + @@ -953,19 +953,19 @@ The following classes and relations from other ontology modules are used within - - + + - - + + - + 1 @@ -974,31 +974,31 @@ The following classes and relations from other ontology modules are used within - + - - - + + + A MaterialAmountConnectionPhenomenon is a PhysicochemicalPhenomenon which occurs at a MaterialAmountConnection - + - + - + - - + + - + A material amount which is at phase equilibrium cannot have - a molecular transport phenomenon - an intensive material amount property which is distributed over a spatial domain. @@ -1006,25 +1006,25 @@ The following classes and relations from other ontology modules are used within - + - - + + A MaterialAmountPhenomenon is a PhysicochemicalPhenomenon which occurs in a MaterialAmount. - + - + - + - - + + @@ -1036,145 +1036,145 @@ The following classes and relations from other ontology modules are used within - + - - + + A MaterialAmountWithSpatiallyDistributedIntensiveProperties may not have any properties indicating an ideal mixing. - + - - - - + + + + A MolecularTransportPhenomenon is a MaterialAmountPhenomenon in which physical quantities such as mass, energy, and momentum are transported among different locations through molecular motion in the MaterialAmount. - + - - - + + + A ParticlePhenomenon is a MaterialAmountPhenomenon which occurs with one or more Particles - + - - + + A ParticlePopulation consists of a (possibly uncounted) number of single particles, which are all present in the same state of aggregation and – in their entirety – can be characterized by means of distribution curves or population balances (Ramkrishna 1985). - + - + - + - - + + - - - + + + A ParticulateMaterialAmount represents the dispersed material amount in a hetero-geneous system which is composed of single particles which typically hold uneven characteristics. - + - + - - - + + + - + A Permeability denotes a set of chemical components which are permeable in a FilmConnection or a ValveConnection. - + - - + + A PermeableValve represents convective transport of mass, where all material compounds, energy, and momentum are transported. - + - - - + + + A PhenomenologicalCoefficient summarizes various coefficients employed to characterize fluxes. - + - - + + A PhysicalEquilibriumPhenomenon is a MaterialAmountPhenomenon that denotes a certain equality of properties within the MaterialAmount considered, which does not involve chemical reactions. - + - - + + A PhysicochemicalPhenomenon is a Phenomenon that can be described by physics or chemistry. - + - - - + + + A QuasiHomogeneousMaterialAmount assumes at least two parts, a dispersed material amount and a continuous material amount, where one is dispersed in the other. It is characterized by average physical quantities of both parts. - + - - + + RadiationExchange is defined as the emission of heat by one body which travels through a medium or through space and which is ultimately absorbed by another body. - + - - + + The RateOfReaction of a general PhaseReaction aA + bB + …  pP + qQ + … is defined as r = -1/a * d[A]/dt = -1/b * d[B]/dt =1/p * d[P]/dt = 1/q * d[Q]/dt, where symbols placed inside square brackets denote the concentrations of the species involved in the reaction. Thus, the RateOfReaction is defined as the change in concentration per unit time. Different measures of concentration may be chosen, such as PhaseComponentFraction and Volume-BasedConcentrations. When a catalyst is used, the reaction rate may also be stated on a catalyst weight (mol g−1 s−1) or surface area (mol m−2 s−1) basis. @@ -1182,37 +1182,37 @@ where symbols placed inside square brackets denote the concentrations of the spe - + - - + + A ReactionRateCoefficient of any reaction is a constant that relates the reaction rate to the concentration-dependent term in the reaction rate expression. This constant is thus independent of concentration and time (McNaught & Wilkinson 1997). - + - + - + - - + + - - + + - - + + A SemiPermeableValve represents convective transport of mass in which only some selective species in a mixture are transported in addition to energy and momen-tum. @@ -1220,25 +1220,25 @@ where symbols placed inside square brackets denote the concentrations of the spe - + - - + + A SingleFilmConnection represents diffusive transport processes across a single boundary layer, e.g. fluid or solid. - + - + - + - - + + @@ -1248,98 +1248,98 @@ where symbols placed inside square brackets denote the concentrations of the spe - + - - + + A SolidFilm represents a boundary layer occurring in a solid phase which allows for diffusive transport. - + - - + + A Source is caused by a chemical reaction or some external potential field within a MaterialAmount. - + - - + + A StateVariableGradient is the spatial gradient of an IntensiveThermodynamicStateVariable. - + - - + + A SurfacePhenomenon is a MaterialAmountConnectionPhenomenon that occurs on a Surface. - + - - + + A SurfaceReactionPhenomenon is a SurfacePhenomenon that denotes a chemical reaction process which takes place on a surface. - + - - + + A ThreeFilmConnection represents diffusive transport processes across a boundary layer in which three films are adjacent to each other, e.g. fluid-solid-fluid. - + - - + + A TwoFilmConnection represents diffusive transport processes across a boundary layer in which two films are adjacent to each other, e.g. fluid-fluid. - + - + - + - - + + - - + + - - + + - + 1 @@ -1348,78 +1348,78 @@ where symbols placed inside square brackets denote the concentrations of the spe - + - - + + A VelocityGradient is the partial derivatives of velocity with respect to the spatial coordinates. - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -1440,295 +1440,295 @@ where symbols placed inside square brackets denote the concentrations of the spe - + - - + + Agglomeration is a ParticlePhenomenon which denotes the agglomeration of Particles in a DispersiveMaterialAmount. - + - - + + Breakage is a ParticlePhenomenon which denotes the breakage of Particles in a DispersiveMaterialAmount. - + - - + + An EquilibriumChemicalReaction is a ChemicalReactionPhenomenon in which a ChemicalReaction reaches its maximum conversion. - + - - + + A ConvectiveMaterialFlow is a MaterialAmountConnectionPhenomenon that denotes the transport of material by convection. - + - - + + EnergyAccumulation is Accumulation of energy. - + - - + + An EquilibriumAdsorption is an AdsorptionPhenomenon that denotes the equilibrium of an adsorption process. - + - - + + An EquilibriumSurfaceReaction is a SurfaceReactionPhenomenon that denotes an equilibrium surface reaction process. - + - - + + Growth is a ParticlePhenomenon which denotes the growth of Particles. - + - - + + HeatConduction is a MolecularTransportPhenomenon in which heat is transported among different locations in a material amount. - + - - + + A HeatRadiation is a MaterialAmountConnectionPhenomenon that denotes the radiation of heat. - + - - + + An IdealMixing flow pattern a FlowPattern which results in a static MaterialAmount with uniform properties. - + - - + + - + - - + + InterfaceHeatConduction is an InterfaceMolecularTransportPhenomenon that denotes heat conduction across some interface. - + - - + + InterfaceMassDiffusion is an InterfaceMolecularTransportPhenomenon that denotes mass diffusion across some interface. - + - - + + A LaminarFlow is a non-turbulent streamline flow in parallel layers with regular, smooth fluid motion that occurs when the Reynolds is smaller than the critical Reynolds number. - + - - + + MassAccumulation is Accumulation of mass. - + - - + + A MassDiffusion is a MolecularTransportPhenomenon in which mass of certain ChemicalComponent(s) is transported among different locations in a MaterialAmount. - + - - + + A MechanicalEquilibrium is a PhysicalEquilibriumPhenomenon that denotes equality of pressure within the material amount considered. - + - - + + MomentumAccumulation is Accumulation of momentum. - + - - + + A NonEquilibriumAdsorption is an AdsorptionPhenomenon that denotes a non-equilibrium adsorption process. - + - - + + A NonChemicalReactionEquilibrium is a ChemicalReactionPhenomenon in which a ChemicalReaction occurs and has not reached its equilibrium. - + - - + + A NonEquilibriumSurfaceReaction is a SurfaceReactionPhenomenon that denotes a non-equilibrium surface reaction process. - + - - + + Nucleation is a ParticlePhenomenon which denotes the nucleation of Particles in a DispersiveMaterialAmount. - + - - + + A ParticlePopulationAccumulation is an AccumulationPhenomenon which causes the variation of the ParticleNumber in a DispersedMaterialAmount. - + - - + + - + - - + + A PhaseEquilibrium is a PhysicalEquilibriumPhenomena that denotes the MaterialAmount considered is in phase equilibrium. - + - - + + A PhaseEquilibrium is a MaterialAmountConnectionPhenomenon which denotes that the mass transfer resistance vanishes at the phase interface between two parities connected by the MaterialAmountConnection considered. - + - - + + A PhaseInterfaceViscousMomentumTransport is an InterfaceMolecularTransportPhenomenon that denotes a viscous momentum transport across a phase interface. - + - - + + - + - - + + SurfaceMassDiffusion is a SurfacePhenomenon that denotes diffusive mass transport along a surface. - + - - + + A ThermalEquilibrium is a PhysicalEquilibriumPhenomenon that denotes equality of temperature within the MaterialAmount considered. - + - - + + A TurbulentFlow is a flow in which velocity at any point varies erratically. - + - - + + A ViscousMomentumTransport is a MolecularTransportPhenomenon in which momentum is transported among different locations in a material amount. diff --git a/OntoCAPE/chemical_process_system/CPS_function/controller.owl b/OntoCAPE/chemical_process_system/CPS_function/controller.owl index 746a2a6..40b6a31 100644 --- a/OntoCAPE/chemical_process_system/CPS_function/controller.owl +++ b/OntoCAPE/chemical_process_system/CPS_function/controller.owl @@ -1,16 +1,16 @@ - - - + xmlns:process_control="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process_control.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -19,7 +19,7 @@ The ontology module 'controller' provides a specialization of the concept controller. The following classes and relations from other ontology modules are used within 'controller': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process_control.owl#Controller"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process_control.owl#Controller"/> 2.0 @@ -38,82 +38,82 @@ The following classes and relations from other ontology modules are used within - + - - + + An AdaptiveController is a Controller that can modify its behavior in response to changes in the dynamics of the process and the character of the disturbances. - + - - + + The idea of a DynamicMatrixController is that the input variables are subjected to measured perturbations and the dynamic effects on the outputs are noted for prediction of the future response of the processes during on-line operation. - + - - + + A FuzzyController is a controller that is based on fuzzy logic - a mathematical system that analyzes analog input values in terms of logical variables that take on continuous values between 0 and 1. - + - - + + An InternalModelController (IMC) automatically corrects the gain of the internal model control when the settings in the internal model are improper. - + - - + + A KnowledgeBasedController (KBC) used in process control systems has the characteristic that it does not need the mathematical model and furthermore gains its parameters by means of practical data. - + - - + + A Model-basedController used in process control systems is based on mathematical models. - + - - + + A proportional-integral-derivative controller (PIDController) is a generic control loop feedback mechanism widely used in industrial control systems. - + - - + + A SmithPredictor is a controller that is particularly designed to cope with time delay the controlled system by adding extra internal loops. - + - - + + diff --git a/OntoCAPE/chemical_process_system/CPS_function/process.owl b/OntoCAPE/chemical_process_system/CPS_function/process.owl index 8015197..080f89e 100644 --- a/OntoCAPE/chemical_process_system/CPS_function/process.owl +++ b/OntoCAPE/chemical_process_system/CPS_function/process.owl @@ -1,28 +1,28 @@ - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:der_dim="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl" + xmlns:process="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process.owl" + xmlns:material="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/material.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:phys_dim="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl" + xmlns:phase_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#" + xmlns:network_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -31,42 +31,42 @@ The ontology module 'process' provides concepts a functional description of an chemical process system at an early stage of design. The following classes and relations from other ontology modules are used within 'process': - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/material.owl#Material"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#ReactionNetwork"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#MultiphaseSystem"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#SinglePhase"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#SinglePhaseInMultiphaseSystem"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#ScalarQuantity"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#DirectedConnection"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#ReactionNetwork"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#Device"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#Property"/> - - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#hasStateOfAggregation"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isComposedOfSubsystem"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasProperty"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/material.owl#thermodynamicBehavior"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#enters"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#leaves"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDimension"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isSubsystemOf"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectlyRelatedTo"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#hasOutput"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#hasInput"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/material.owl#Material"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#ReactionNetwork"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#MultiphaseSystem"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#SinglePhase"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#SinglePhaseInMultiphaseSystem"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#ScalarQuantity"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#DirectedConnection"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#ReactionNetwork"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#Device"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#Property"/> + + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#hasStateOfAggregation"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isComposedOfSubsystem"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasProperty"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/material.owl#thermodynamicBehavior"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#enters"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#leaves"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDimension"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isSubsystemOf"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectlyRelatedTo"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#hasOutput"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#hasInput"/> - <phase_system:StateOfAggregation rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#liquid"/> - <phase_system:StateOfAggregation rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#gaseous"/> - <phase_system:StateOfAggregation rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#solid"/> + <phase_system:StateOfAggregation rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#liquid"/> + <phase_system:StateOfAggregation rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#gaseous"/> + <phase_system:StateOfAggregation rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#solid"/> <der_dim:Mechanics rdf:about="der_dim;#pressure"/> <phys_dim:SupplementaryDimension rdf:about="phys_dim;#identity_dimension"/> The following classes and relations from the Meta Model are refined within 'process': - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#ValueSet"/> + <owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#ValueSet"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#isOfType"/> + <owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#isOfType"/> 2.0 @@ -85,52 +85,52 @@ The following classes and relations from other ontology modules are used within - + - - - - + + + + The relation hasChemicalRectionNetwork indicates that a reaction as considered on a rather macroscopic perspective of an early design stage may be the result of an sequence of reactions occurring on the bases of several phases. - + - - + + - - + + - + The relation hasOperationMode indicates by which operation modes a particular process state is achieved. - + - - - - + + + + The relation hasPressureDifference indicates the intended difference between two pressure state. - + - - - - + + + + The relation hasVaporRatio indicates the liquid-vapor ratio of a particular mixture at a certain state within a vessel. @@ -147,9 +147,9 @@ The following classes and relations from other ontology modules are used within - + - + @@ -166,16 +166,16 @@ The following classes and relations from other ontology modules are used within - + - + - + - - + + @@ -185,220 +185,220 @@ The following classes and relations from other ontology modules are used within - + - + - + - - + + - + A BatchProcess indicates the batch mode of operation applied to the Process. - + - - - - + + + + A Byproduct is an EndProduct whose production is unavoidable while a CoreProduct is produced. - + - - - + + + A Co- product is an EndProduct whose production is unintended. - + - - + + - + 2 - + 1 - - + + A combination in terms of unit operation means to get together different process steps to achieve a particular one. - + - - + + A CoreProduct is a main (or an intended) EndProduct. - + - - - + + + An EndProduct is an OutputProduct that is valuable. - + - - + + - + 1 - + 1 - + EnthalpyChange in terms of unit operation considers a conversion of energy which often result in a change of the state of aggregation. - + - - + + - - + + - + - + - - + + - - + + - + 1 - + 1 - + 2 - + Flashing utilized the state of phase equilibrium between a vapor and a liquid phase and the resulting material transport if a mixture with different fugacity is existent. In terms of unit operation this is usually accomplished in a vessel. - + - - + + Fragmentation in terms of unit operation is the breakup of solid material for further processing. - + - + - + - - + + - - + + - + An IntermediateProduct is a ChemicalProduct that is produced in a ProcessStep and is used in another ProcessStep in the whole processing system. - + - - + + - - + + - + - - + + - + 2 - + 2 @@ -407,144 +407,144 @@ The following classes and relations from other ontology modules are used within - + - - + + Mixing in terms of unit operations is a special type of combination which results in a mixture which is required for further processing. It is usually accomplished by means of stirrer. - + - + - - + + - + - + - - + + A NonReusableWasteProduct is a waste product that can not be reused. - + - - + + - - + + - + 0 - + An OutputProduct is a Material that is output by a ProcessStep. - + - - - - + + + + PhaseChange is a specialization of EnthalpyChange an usually it is applied for the purpose of heat exchange between spatially separated phases - + - - + + - - + + - - + + - + 1 - + By means of a PressureChange a heat content of a particular fluid may be exchanged which may be used for heating or cooling purposes in terms of unit operations. - + - - - + + + - + - - + + - + - - + + - - + + - + - + - + - - + + @@ -556,30 +556,30 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + - + - - + + @@ -587,12 +587,12 @@ The following classes and relations from other ontology modules are used within - + - - + + @@ -603,42 +603,42 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + - - + + - - + + - + - - + + @@ -646,12 +646,12 @@ The following classes and relations from other ontology modules are used within - + - - + + @@ -662,24 +662,24 @@ The following classes and relations from other ontology modules are used within - + - - + + - + - + - + - - + + @@ -689,19 +689,19 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - + 0 @@ -710,56 +710,56 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + - - + + - + 1 - + A Reaction is a ProcessStep in which some material is converted to some other material through chemical or biochemical reactions - + - - + + A ReusableWasteProduct is a WasteProduct that can be reused for production. - + - - + + - + 2 @@ -768,44 +768,44 @@ The following classes and relations from other ontology modules are used within - + - - + + - + - - + + TemperatureChange in terms of unit operation means to transport the heat content of one material to another and it is applied for heating or cooling purposes. - + - - + + A UnitOperation is a basic step in a process. This basic step might comprise mixing, separation, enthalpy change and many more to achieve the desired product. - + - - + + A WasteProduct is an OutputProduct that has no value. - + - + @@ -820,18 +820,18 @@ The following classes and relations from other ontology modules are used within - + - - + + - + - - + + diff --git a/OntoCAPE/chemical_process_system/CPS_function/process_control.owl b/OntoCAPE/chemical_process_system/CPS_function/process_control.owl index a418848..cb46d12 100644 --- a/OntoCAPE/chemical_process_system/CPS_function/process_control.owl +++ b/OntoCAPE/chemical_process_system/CPS_function/process_control.owl @@ -1,24 +1,24 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:process="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:network_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#" + xmlns:process_control="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process_control.owl" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -27,27 +27,27 @@ The ontology module 'process_control' provides concepts based on control theory for process control architectures for a chemical process system. The following classes and relations from other ontology modules are used within 'process_control': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#Device"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#Connection"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process.owl#ProcessStep"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#hasOutput"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#hasInput"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#enters"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#leaves"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isRelatedTo"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#Device"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#Connection"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process.owl#ProcessStep"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#hasOutput"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#hasInput"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#enters"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#leaves"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isRelatedTo"/> The following classes and relations from the Meta Model are refined within 'process_control': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#ValueSet"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#NonExhaustiveValueSet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#ValueSet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#NonExhaustiveValueSet"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#isOfType"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#isOfType"/> 2.0 @@ -66,48 +66,48 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - - + + The relation hasControlLoopArchitecture refers from a equipment to the corresponding fixture. - + - - + + - - + + The relation hasLinearity refers from a FunctionBlock to its LinearityValueType. - + - - + + - - + + The relation hasResponseCharacteristics refers from the function block to its ResponseCharacteristicsValueType. - + - - - - + + + + @@ -123,18 +123,18 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - + - - + + @@ -142,12 +142,12 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + @@ -155,12 +155,12 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + @@ -168,13 +168,13 @@ The following classes and relations from the Meta Model are refined within &apos - - + + - + 2 @@ -183,57 +183,57 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + ActuatorFunction transforms the output of the Controller into the input of the ControlledSystem. - + - - + + BranchingPoint describes the splitting of a controlled system. - + - - + + ComparingElement indicates whether a action line influence as a feed back or directly. - + - - + + - - + + - - + + - + - - + + @@ -241,12 +241,12 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + @@ -254,12 +254,12 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + @@ -267,8 +267,8 @@ The following classes and relations from the Meta Model are refined within &apos - - + + ControlComponent comprises the different features required for describing control. @@ -276,42 +276,42 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - - + + - - + + - - + + - - + + - + - - + + @@ -319,7 +319,7 @@ The following classes and relations from the Meta Model are refined within &apos - + 1 @@ -328,54 +328,54 @@ The following classes and relations from the Meta Model are refined within &apos - + - - - - + + + + ControlLoopArchitectureValue type comprises the different types of control loop structures. ControlLoopType is an enumeration of its instances OpenLoopControl, FeedForwardControl, StateFeedbackControl, OutputFeedbackControl and ComplexControlLoop. - + - - + + ControlledSystem describes the functionality of the system to be controlled. - + - - + + Controller represents the different types of controller. - + - - + + - + 0 - + 1 - + 1 @@ -384,37 +384,37 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - - + + - - + + - - + + - - + + - + 1 @@ -423,16 +423,16 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - + - - + + @@ -441,24 +441,24 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - + - - + + - + - - + + @@ -470,46 +470,46 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - - + + - - + + Linearity is an enumeration of its instances linear and Non-linear. - + - - + + ResponseCharacteristics describe the several characteristics how a controlled system may react on a manipulation. - + - - + + ReversingElement describes the functionality of lead. - + - - + + The SensorFunction comprises the entire function of recording, relaying, and writing out ProcessQuantities within other ControlComponents. @@ -526,110 +526,110 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + ComplexControlLoop is not yet specifically defined control loop which may be composed of other control loop elements. - + - - + + D-Element is a derivative part of a controller which is applied for smoother control trajectories since it reduces the magnitude of the overshoot produced by the integral component. - + - - + + A system which exhibits FeedForwardControl responds to a measured disturbance in a pre-defined way before the disturbance effects the control variable. - + - - + + I-Element is a integrative part of a controller which force the signal to approach the setpoint quicker than a proportional controller alone and eliminate steady state error. - + - - + + OpenLoopControl is a type of architecture which computes its input into a system using only the current state and its model of the system. - + - - + + OutputFeedbackControl is applied when the output of the system is fed back into the system as part of its input. - + - - + + P-Element is a proportional part of a controller which responds to a change in the process variable proportional to the current measured error value. - + - - + + PID-Element combines all features provided by the P-, I- and D-Element of a controller. - + - - + + PT1-Element deals with time-delay in controlled system to avoid instability. - + - - + + StateFeedbackControl is a method employed in feedback control. - + - - - + + + Linear refers to the behavior of the ControlledSystem. - + - - + + Nonlinear refers to the behavior of the ControlledSystem which cannot be described as a linear function of the state of that system. @@ -646,21 +646,21 @@ The following classes and relations from the Meta Model are refined within &apos - - - - - + + + + + - - - - - + + + + + diff --git a/OntoCAPE/chemical_process_system/CPS_function/process_extensionTGL25001.owl b/OntoCAPE/chemical_process_system/CPS_function/process_extensionTGL25001.owl index 731ea9b..75203ad 100644 --- a/OntoCAPE/chemical_process_system/CPS_function/process_extensionTGL25001.owl +++ b/OntoCAPE/chemical_process_system/CPS_function/process_extensionTGL25001.owl @@ -1,17 +1,17 @@ - - - + xmlns:process="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process.owl#" + xmlns:process_ext="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process_extensionTGL25001.owl"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -20,12 +20,12 @@ Extension of partial model process; classification of ProcessSteps according to TGL 25001 The following classes and relations from other ontology modules are used within 'process_extensionTGL25001': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process.owl#PhaseChange"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process.owl#Separation"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process.owl#Combination"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process.owl#TemperatureChange"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process.owl#Fragmentation"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process.owl#Mixing"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process.owl#PhaseChange"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process.owl#Separation"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process.owl#Combination"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process.owl#TemperatureChange"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process.owl#Fragmentation"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process.owl#Mixing"/> 2.0 @@ -44,217 +44,217 @@ - + - - + + Granulation of a solid by frictional action using an abrading medium. - + - - + + Absorption is the transfer of a soluble component in a gas-phase mixture into a liquid absorbent whose volatility is low under process conditions. (Perry) - + - - + + Adsorption is the selcective transfer of molecules or fine-granular particles from a fluid (gas or liquid) to the interface of the adsorbents. - + - - + + Boiling down refers to the separation of a solution into gaseous and solid substances by evaporating the volatile components completely. - + - - + + The agglomeration of a fine-granular powder to coarse-granular pieces by mechanical pressure. - + - - + + A process of separating the lighter portions of a solution, mixture, or suspension from the heavier portions by centrifugal force. - + - - + + The compression of a loose, voluminous powder to a more dense, closely packed powder by mechanical pressure. - + - - + + In evaporization, the vapor from a boiling liquid is removed and a more concentrated solution remains. (Geankoplis: Transport processes and unit operations) - + - - + + The phase transition from gas to liquid. - + - - + + Reducing the temperature of a gas without changing ist state of aggregation - + - - + + Reducing the temperature of a liquid without changing ist state of aggregation - + - - + + Reducing the temperature of a solid. - + - - + + Fragmentation of solid material by the effect of shear forces - + - - + + Cyclonic separation is a method of removing particles from a gas stream by means of centrifugal forces. - + - - + + The phase transition from gas to solid without passing through an intermediate liquid state. - + - - + + Process to separate a gas mixture into its components by means of differences in the diffusion rates of the component molecules - + - - + + The mixing of a solid and a liquid with the formation of one new homogeneous phase (i.e. the solution). - + - - + + Distillation is the seperation of the constituents of liquid mixture via partial vaporization of the mixture and separate recovery of vapor and residue. (Perry) - + - - + + The separation of dispersed particles from a gas phase by means of an electric field. - + - - + + A process which uses an electric field and two semipermeable membranes to separate dissociated species from undissociated species in a solvent. The electric field forces the dissociated ions through the membranes, while the nonpolar species remain in the solvent. - + - - + + The process of crushing solid material by applying electromagnetic fields that cause internal stresses. - + - - + + Electrophoresis is the technique of separating electrically charged particles, particularly proteins, in a solution by passing an electric current through the solution. The rate of movement of the different components depends upon their charge, so that they gradually separate into bands. [neurolab.jsc.nasa.gov/glosseh.htm] - + - - + + The formation of a mixture of two liquids, such as oil and water, in which one of the liquids is in the form of fine droplets and is dispersed in the other. - + - - + + Extraction refers to both liquid-liquid extraction and leaching: Liquid-liquid extraction is a process for separationg components in solution by their distribution between two immiscible liquid phases. Such a process can also be simply referred to as liquid extraction or solvent extraction; however, the latter term my be confusing because it also applies to the leaching of soluble substance from a solid. (Perry's) Leaching is the removal of a soluble fraction, in the form of a solution, from an insoluble, permeable solid phase with which it is associated. The separation usually involves selective dissolution. The soluble constituent may be solid or liquid (Perry's) @@ -263,347 +263,347 @@ Leaching is the removal of a soluble fraction, in the form of a solution, from a - + - - + + The combination of a liquid and a gas phase to a foam. - + - - + + A method of separation in which a component of the bulk liquid is preferentially adsorbed at the liquid/vapour (L/V) interface and is removed by foaming. (IUPAC Compendium of Chemical Terminology) - + - - + + The merging of two or more solid components by melting. - + - - + + The separation of a mixture of gases of different densities by centrifugal force. - + - - + + Gas filtration is the separation of a gas-solids mixture by forcing the mixture through a porous barrier which retains most of the solid particulates contained in the mixture. - + - - + + The process of pulverizing solid material to fine-granular particles by applying mechanical forces - + - - + + Increasing the temperature of a gas - + - - + + Increasing the temperature of a liquid without changing ist state of aggregation - + - - + + Increasing the temperature of a solid without changing ist state of aggregation. - + - - + + The mixing of a gas and the vapor of a liquid with the formation of a new homogeneous phase. - + - - + + Hydrocyclonic separation is a method of removing particles from a liquid stream by means of centrifugal forces. - + - - + + Particles are separated from gas by impingement on collected bodies arrayed across the path of the gas stream.(Perry) - + - - + + The process of soaking a porous material with a liquid. - + - - + + The blending of solid and liquid components into a uniform mass, as by folding, pressing, and stretching. - + - - + + Liquid filtration is the separation of a liquid-solids mixture by forcing the mixture through a porous barrier which retains most of the solid particulates contained in the mixture. - + - - + + The process of breaking solid material into coarse-granular pieces by applying mechanical forces - + - - + + The phase transition from solid to the liquid. - + - - + + The combination of two or more liquids of different composition to a homogeneous system. - + - - + + The blending of different solid components to a granular mixture - + - - + + The mixing of two ore more gases of different compositions. - + - - + + - + - - + + - + - - + + - + - - + + Fragmentation of a melt by rapid solidifaction, which causes internal stresses. - + - - + + Rectification is the separation of the constituents of a liquid mixture by successive distillations (partial vaporizations and condensations) and is obtained via the use of an integral of differential process. (Perry) - + - - + + The separation of dispersed particels from a gas phase by suspensing or solving the particles in a liquid phase. - + - - + + The fragmentation of fibrous materials by the effect of tensile forces. - + - - + + The heating of a mass of fine particles below the melting point, causing agglomeration to form larger particles. (www.mim.com.au/glossary.html) - + - - + + The phase transition from liquid to solid. - + - - + + Separation procedure based on the coagulation of small particles suspended in a fluid medium into larger aggregates by the action of sound waves. - + - - + + The process of dispersing liquid droplets in a gas phase. - + - - + + The phase transition from solid to gas without passing through an intermediate liquid state. - + - - + + The process of preparing a mixture in which fine particles are suspended in a fluid, where they are supported by buoyancy. - + - - + + The process of preparing a small flat compressed cake of some powder by means of high pressure. - + - - + + - + - - + + - + - - + + - + - - + + The process of crushing solid material by applying temperature differences that cause internal stresses. - + - - + + The phase transition from liquid to gas. diff --git a/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl b/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl index bf5de98..aa1fb1d 100644 --- a/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl +++ b/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl @@ -1,23 +1,23 @@ - - - + xmlns:Catalyst="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl#Catalyst&" + xmlns:mereology="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/mereology/mereology.owl#" + xmlns:Maintenance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl#Maintenance&" + xmlns:physical_dimension="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#" + xmlns:economic_performance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -25,22 +25,22 @@ The ontology module 'economic_performance' evaluates certain chemical process systems with respect to economics perspectives. The following classes and relations from other ontology modules are used within 'economic_performance': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Equipment"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#ScalarQuantity"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Instrumentation"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Piping"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#PlantItem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Equipment"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#ScalarQuantity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Instrumentation"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Piping"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#PlantItem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDimension"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasProperty"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDimension"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasProperty"/> -<phys_dim:SupplementaryDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#amount_of_money"/> +<phys_dim:SupplementaryDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#amount_of_money"/> The following classes and relations from the Meta Model are refined within 'economic_performance': -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/mereology/mereology.owl#hasDirectPart"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/mereology/mereology.owl#hasDirectPart"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> 2.0 @@ -74,57 +74,57 @@ The following classes and relations from the Meta Model are refined within &apos - + - - - - + + + + The relation addsUp indicates that a partial cost belongs to particular AccumulatedCosts. - + - - + + - - - + + + - + The relation isCostOfPlantItem indicates that a partial cost belongs to particular PlantItem. - + - + - + - + - + - + - + - + @@ -139,37 +139,37 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - + - - + + - - - - + + + + AccumulatedCosts summarize all partial costs that may occur in a ChemicalProcessSystem. - + - - + + - - + + Cost describes all kinds of costs that may arise with respect to the ChemicalProcessSystem economic evaluation. @@ -177,63 +177,63 @@ The following classes and relations from the Meta Model are refined within &apos - + - - - - - - - - - - + + + + + + + + + + CostsForBuildings are involved in the erection of all buildings connected with the Plant. - + - - - - - - - - - + + + + + + + + + CostsForLand cover the land price and the yard improvement costs. - + - - + + - - + + - - + + - + - - + + @@ -241,88 +241,88 @@ The following classes and relations from the Meta Model are refined within &apos - + 2 - - - - - - - + + + + + + + CostsForSystemsRealization are directly associated with the ProcessingSubsystem and the OperatingSubsystem. - + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - + - - + + - + - - + + - - + + - - + + EconomicPerformance evaluates a ChemicalProcessSystem from an economic perspective @@ -330,60 +330,60 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - - + + - - + + - + 1 - - - + + + EquipmentCosts are related costs to the Equipment - + - - + + - - + + - - + + - + - - + + @@ -391,152 +391,152 @@ The following classes and relations from the Meta Model are refined within &apos - + 2 - - - - - - + + + + + + FixedCapitalInvestment is the capital needed to supply the manufacturing and plant facilities. - + - - - - - - - + + + + + + + GeneralExpenses are involved in any company’s operation. - + - - + + - + - - - - + + + + IndividualCosts represent costs that do not add up any other Costs. - + - - - - - - - + + + + + + + InstallationCostsForSystemsRealization involve for example the costs for labor, platforms, and construction. - + - - + + - - + + - - + + - + InstrumentationCosts are related to the ProcessControlSystem. - + - - + + - - + + - - + + - - - + + + ManufacturingCosts are expenses which are directly connected with the manufacturing operation. - + - - + + - - + + - - + + - - + + - - + + - + - - - - + + + + @@ -544,59 +544,59 @@ The following classes and relations from the Meta Model are refined within &apos - + 4 - - - - - + + + + + - + - - - - + + + + - + - - + + - + - - + + - + - - + + - - + + - - + + PipeCosts are also part of the Plant. @@ -604,38 +604,38 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - + - - + + - - + + - - + + - + - - + + @@ -643,49 +643,49 @@ The following classes and relations from the Meta Model are refined within &apos - + 2 - - - + + + ProductionCosts cover the costs for operating the ChemicalProcessSystemRealization and selling the CoreProducts. - + - - + + - - + + - - + + - - + + - + - - - + + + @@ -693,59 +693,59 @@ The following classes and relations from the Meta Model are refined within &apos - + 3 - - + + PurchaseCostsForSystemsRealization are the costs for purchasing the realization elements of the ProcessingSubsystem and the OperatingSubsystem. - + - - + + - + - - - + + + ServiceFacility costs are related to the costs connected with utilities for supplying stream, water, power, etc., waste disposal, fire protection and other service items. - + - - + + - - + + - - + + - + - - + + @@ -753,40 +753,40 @@ The following classes and relations from the Meta Model are refined within &apos - + 2 - + TotalCPSCosts of a ChemicalProcessSystem include all costs that are related to design, construction, and maintenance of the ChemicalProcessSystem, and the production and selling of EndProducts. - + - - + + - - + + - - + + - + - - + + @@ -794,7 +794,7 @@ The following classes and relations from the Meta Model are refined within &apos - + 2 @@ -803,80 +803,80 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - + - - + + - + - - + + WorkingCapital is the capital needed for the operations of a plant. - + - - + + - + - - + + - + - + - + - + - + - + - + - + - + - + - + - + @@ -897,9 +897,9 @@ The following classes and relations from the Meta Model are refined within &apos - + - + diff --git a/OntoCAPE/chemical_process_system/CPS_realization/plant.owl b/OntoCAPE/chemical_process_system/CPS_realization/plant.owl index 164d652..242c15b 100644 --- a/OntoCAPE/chemical_process_system/CPS_realization/plant.owl +++ b/OntoCAPE/chemical_process_system/CPS_realization/plant.owl @@ -1,26 +1,26 @@ - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:geometry="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl" + xmlns:multiset1="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -29,34 +29,34 @@ The ontology module 'plant' realizes a chemical process system in terms of technical equipment for production. The following classes and relations from other ontology modules are used within 'plant': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#Substance"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/geometry/geometry.owl#Cylinder"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/data_structures/multiset.owl#Multiplicity"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/geometry/geometry.owl#Diameter"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/geometry/geometry.owl#Solid"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/geometry/geometry.owl#EdgeLength"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#SystemInterface"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#Property"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/geometry/geometry.owl#Height"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> - -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/geometry/geometry.owl#ShapeRepresentation"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasProperty"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isExclusivelySubsystemOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/data_structures/multiset.owl#hasMultiplicity"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isComposedOfSubsystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#Substance"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#Cylinder"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#Multiplicity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#Diameter"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#Solid"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#EdgeLength"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#SystemInterface"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#Property"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#Height"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> + +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#ShapeRepresentation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasProperty"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isExclusivelySubsystemOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#hasMultiplicity"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isComposedOfSubsystem"/> The following classes and relations from the Meta Model are refined within 'plant': -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#isInvolvedInN-aryRelation"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/data_structures/multiset.owl#indicatesMultiplicityOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/data_structures/multiset.owl#multiplicity"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#isInvolvedInN-aryRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#indicatesMultiplicityOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#multiplicity"/> 2.0 @@ -75,89 +75,89 @@ The following classes and relations from the Meta Model are refined within &apos - + - - - + + + The relation hasCapacity indicates equipment’s capacity. - + - - - + + + - - - + + + - + The relation hasConnector refers from a PieceOfEquipment or a PipeSegment or an Instrument to the corresponding PlantItemInterface. - + - - - - + + + + The relation hasConstructionMaterial refers to the Material chosen for construction of PlantItems. - + - - - + + + The relation hasPumpEfficiency indicates a machine’s efficiency - + - - - - - + + + + + The relation hasFixture refers from a Equipment to the corresponding Fixture. - + - - - + + + The relation hasHeight refers the height of equipment. - + - - + + - - - + + + @@ -166,83 +166,83 @@ The following classes and relations from the Meta Model are refined within &apos - + - - - - - + + + + + - + - - - - + + + + - + - - - + + + - + - - - + + + The relation hasPowerOutput indicates a machine’s magnitude of power output. - + - - + + - + - - + + - + - - - - + + + + - + - - - + + + - - - + + + @@ -251,12 +251,12 @@ The following classes and relations from the Meta Model are refined within &apos - + - - - - + + + + The relation isFixtureOf refers from a Fixture to the corresponding Equipment. @@ -273,19 +273,19 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - + - - - + + + @@ -302,113 +302,113 @@ The following classes and relations from the Meta Model are refined within &apos - + - - - + + + An Apparatus is a PieceOfEquipment which mainly consists of non-moving parts and provides space for materials to be processed. - + - + - - + + - - - - + + + + Equipment is a PlantIitem that is capable of independently realizing one or more Process Steps. - + - - - - + + + + A Fixture is a PlantItem that is part of Equipment and therefore not capable of independently realizing a ProcessStep. The function of a PlantItem essentially depends on the required Fixtures. - + - + - + - - + + - - + + - - + + - + A GroupOfEquipment is a Supersystem of Equipment that comprises of a number of Equipment, Piping and Instrumentation that realizes one or more CompositeProcessSteps. - + - - + + - + - - + + - + - - - + + + - + - - + + - - + + - + 2 @@ -417,36 +417,36 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - - + + - - + + Instrumentation is about measuring and control. Instrumentation may comprise instruments as well as loops. - + - - + + - + - - + + @@ -454,24 +454,24 @@ The following classes and relations from the Meta Model are refined within &apos - + 1 - - + + - + - - + + - - + + A Loop, including instruments, is arranged in such a fashion as to try to regulate a variable of a certain controlled system. @@ -479,20 +479,20 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - - + + - - + + A Machine is any mechanical or electrical device that transmits or modifies energy to perform or assist in the desired performance @@ -500,31 +500,31 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - - + + - - + + - + 1 - + 1 @@ -532,18 +532,18 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - + - - + + @@ -551,38 +551,38 @@ The following classes and relations from the Meta Model are refined within &apos - + 1 - + A Nozzle represents the interface through which a plant item that owns it can be connected to another PlantItem or to the environment of a Plant. - + - - + + - + - - + + - - + + - - + + A PieceOfEquipment is an elementary unit in the sense that it does not include other Equipments or Pipes. @@ -590,90 +590,90 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - + - - + + - - + + - - + + - - - + + + A Pipe can be used to connect one PlantItem to another PlantItem or to the environment of a Plant. - + - - - - + + + + Fittings are used in PipingNetworks to connect straight Pipe sections, to adapt to different sizes or shapes or forking of Piping. - + - - + + - - + + - + 2 - + A PipeSegment is the elementary part of Piping. A Pipe is assembled of a number of PipeSegments. - + - - + + - + - - - + + + @@ -681,7 +681,7 @@ The following classes and relations from the Meta Model are refined within &apos - + 1 @@ -690,49 +690,49 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - - - - + + + + - + A Piping is a plant item which is used for fluid transport. It may connect Equipment or/and Instruments. - + - + - + - - + + - - + + - - + + @@ -741,8 +741,8 @@ The following classes and relations from the Meta Model are refined within &apos - - + + A PipingNetwork is an agglomeration of Pipes and PipeFittings used to connect multiple PiecesOfEquipment. @@ -750,13 +750,13 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - + 0 @@ -765,26 +765,26 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - - + + - - + + - - + + A PlantItem is an object which exists, in a material form, in a ChemicalProcessSystem and in which one or more ProcessSteps could be performed. @@ -792,26 +792,26 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - + - - + + - + - - + + diff --git a/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/apparatus.owl b/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/apparatus.owl index ebf5dac..3c9f116 100644 --- a/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/apparatus.owl +++ b/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/apparatus.owl @@ -1,24 +1,24 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl" + xmlns:fixture="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/fixture.owl#" + xmlns:geometry="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:apparatus="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/apparatus.owl" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -27,22 +27,22 @@ The ontology module 'apparatus' provides some specializations of the apparatuses applicable to a chemical process system. The following classes and relations from other ontology modules are used within 'apparatus': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/geometry/geometry.owl#Cylinder"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Apparatus"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/fixture.owl#Jacket"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/fixture.owl#Stirrer"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Multiplicity"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/fixture.owl#Tray"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/geometry/geometry.owl#hasShapeRepresentation"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#hasHeight"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#hasInsideDiameter"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#hasOutsideDiameter"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#hasFixture"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#FixedValueSet"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#hasNumberOfPlantItems"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#Cylinder"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Apparatus"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/fixture.owl#Jacket"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/fixture.owl#Stirrer"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Multiplicity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/fixture.owl#Tray"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl#hasShapeRepresentation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#hasHeight"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#hasInsideDiameter"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#hasOutsideDiameter"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#hasFixture"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#FixedValueSet"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#hasNumberOfPlantItems"/> 2.0 @@ -60,44 +60,44 @@ The following classes and relations from other ontology modules are used within - + - - - + + + - + - - - + + + - + - - - + + + The relation hasNumberOfTrays refers to the quantity of trays installed in a column. - + - - - + + + - - + + @@ -105,16 +105,16 @@ The following classes and relations from other ontology modules are used within - + - - - + + + - - + + @@ -134,49 +134,49 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + - - + + - - + + - + 1 - + 1 - + 1 @@ -185,14 +185,14 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + A HeatedTank is a vessel with a heating Jacket. @@ -200,59 +200,59 @@ The following classes and relations from other ontology modules are used within - + - - - + + + A PackedColumn is a column which is filled out with some packing material. - + - - + + - - + + - - + + - - + + - - + + - + 1 - + 1 - + 1 @@ -261,14 +261,14 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + A StirredTank is a Vessel with a stirrer inside. @@ -276,34 +276,34 @@ The following classes and relations from other ontology modules are used within - + - - + + - + - - + + - - + + - - + + - - + + A TrayColumn is a column which internally has a number of Trays installed along the vertical dimension of the column. @@ -311,45 +311,45 @@ The following classes and relations from other ontology modules are used within - + - - + + - + - - + + - - + + - - + + - - + + - + 1 - + 1 @@ -369,18 +369,18 @@ The following classes and relations from other ontology modules are used within - + - - + + - + - - + + diff --git a/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/fixture.owl b/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/fixture.owl index dcfd6be..5f76844 100644 --- a/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/fixture.owl +++ b/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/fixture.owl @@ -1,18 +1,18 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl" + xmlns:fixture="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/fixture.owl"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -21,13 +21,13 @@ The ontology module 'fixture' provides specializations of fixtures that are applicable to chemical process systems. The following classes and relations from other ontology modules are used within 'fixture': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Fixture"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#FixedValueSet"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Multiplicity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Fixture"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#FixedValueSet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Multiplicity"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#hasNumberOfPlantItems"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#hasNumberOfPlantItems"/> 2.0 @@ -62,51 +62,51 @@ The following classes and relations from other ontology modules are used within - + - + - + - - - + + + The relation hasHeatedLength refers to the length of a tube at which a heat transfer is achieved. - + - - - + + + The relation hasHoleDiameter refers the diameter of a hole in a tray. - + - - - + + + - + - - - + + + - - + + @@ -114,29 +114,29 @@ The following classes and relations from other ontology modules are used within - + - - - + + + The relation hasTrayArea refers to the operational area of a tray. - + - - - + + + The relation hasWeirHeight refers to the weir height of all trays in a tray column. - + - + @@ -151,148 +151,148 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - - - - - - - + + + + + + + A Jacket is a shell-like fixture which surrounds a vessel to provide a space which usually contains fluids for heating or cooling. - + - - + + - + 1 - - - - + + + + A Shell is a Fixture as the shell part of a shell-tube unit in a Shell-TubeApparatus. - + - - - - - + + + + + A Stirrer is a fixture which is installed in a Vessel to improve the mixing of the fluid in the vessel through its rotation - + - - + + - + - - + + - - + + - - + + - - + + - - + + A Tray is a fixture which is installed in a TrayColumn to provide a stage for holding up fluids. A further classification of trays is beyond the current scope of OntoCAPE. - + - - + + - - + + - - + + - + 1 - + A Tube is a Fixture as part of a TubeBundle. - + - - + + - - + + - - + + - + 1 @@ -301,15 +301,15 @@ A further classification of trays is beyond the current scope of OntoCAPE. + - + - + - + diff --git a/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/machine.owl b/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/machine.owl index 568716b..8562f23 100644 --- a/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/machine.owl +++ b/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/machine.owl @@ -1,20 +1,20 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl" + xmlns:fixture="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/fixture.owl" + xmlns:machine="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant_equipment/machine.owl"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -23,10 +23,10 @@ The ontology module 'machine' provides specializations of machines applicable to a chemical process system. The following classes and relations from other ontology modules are used within 'machine': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Machine"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Machine"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> 2.0 @@ -44,18 +44,18 @@ The following classes and relations from other ontology modules are used within - + - - - + + + - + - + The relation hasPumpHead refers the pump head a pump is design for. @@ -72,26 +72,26 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - - + + - - + + diff --git a/OntoCAPE/chemical_process_system/CPS_realization/process_control_equipment/control_instrument.owl b/OntoCAPE/chemical_process_system/CPS_realization/process_control_equipment/control_instrument.owl index 7a20439..1f8d70d 100644 --- a/OntoCAPE/chemical_process_system/CPS_realization/process_control_equipment/control_instrument.owl +++ b/OntoCAPE/chemical_process_system/CPS_realization/process_control_equipment/control_instrument.owl @@ -1,16 +1,16 @@ - - - + xmlns:pro_con_sys="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -19,8 +19,8 @@ The ontology module 'control_instrument' provides specializations of control instruments that are applicable to process control systems. The following classes and relations from other ontology modules are used within 'control_instrument': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl#ControllingInstrument"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl#ControllingInstrumentForEnergyStreams"> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl#ControllingInstrument"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl#ControllingInstrumentForEnergyStreams"> 2.0 @@ -55,97 +55,97 @@ The following classes and relations from other ontology modules are used within - + - + - + - - + + A BallCock can be used to control a material stream. - + - - + + A ControlValve can be used to control a material stream. - + - - + + ControllingDeviceForEnergyStreams represents the controlling units for energy streams required in the process. - + - - + + ControllingInstrumentForMaterialStream represents the controlling units for material streams required in the process. - + - - + + A GTO-thyristor can be used for controlling energy streams. - + - - + + A Relay can be used for controlling energy streams. - + - - + + A ScrewConveyor can be used to control a material stream. - + - - + + A ShutOffValve can be used to control a material stream. - + - - + + A Thyristor can be used for controlling energy streams. - + - - + + A Transistor can be used for controlling energy streams. @@ -159,7 +159,7 @@ The following classes and relations from other ontology modules are used within /////////////////////////////////////////////////////////////////////////////////////// --> - + ControllingDeviceForEnergyStreams is a subclass of ControllingDevice and represents the controlling units for energy streams required in the process diff --git a/OntoCAPE/chemical_process_system/CPS_realization/process_control_equipment/measuring_instrument.owl b/OntoCAPE/chemical_process_system/CPS_realization/process_control_equipment/measuring_instrument.owl index 17bf282..4e808e6 100644 --- a/OntoCAPE/chemical_process_system/CPS_realization/process_control_equipment/measuring_instrument.owl +++ b/OntoCAPE/chemical_process_system/CPS_realization/process_control_equipment/measuring_instrument.owl @@ -1,16 +1,16 @@ - - - + xmlns:pro_con_sys="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -19,7 +19,7 @@ The ontology module 'measuring_instrument' provides specializations for measuring instruments that are applicable to chemical process systems. The following classes and relations from other ontology modules are used within 'measuring_instrument': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl#MeasuringInstrument"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl#MeasuringInstrument"/> 2.0 @@ -54,117 +54,117 @@ The following classes and relations from other ontology modules are used within - + - - + + BimetalT-sensor is a specific type of temperature measuring sensor. - + - - + + ExpansionT-sensor is a specific type of temperature measuring sensor. - + - - + + F-sensor is applied for flow measuring. - + - - + + L-sensor is applied for level measuring. - + - - + + P-sensor is applied for preasure measuring. - + - - + + Pt100 is a specific type of temperature measuring sensor. - + - - + + Pyrometer is a specific type of temperature measuring sensor. - + - - + + Q-sensor is applied for quality measuring (quality quantity, like concentration, conductivity). - + - - + + QuartzCrystalT-sensor is a specific type of temperature measuring sensor. - + - - + + SegerCone is a specific type of temperature measuring sensor. - + - - + + T-sensor is applied for temperature measuring. - + - - + + Thermocouple is a specific type of temperature measuring sensor. - + - + diff --git a/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl b/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl index 9fc808d..6c90c1b 100644 --- a/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl +++ b/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl @@ -1,24 +1,24 @@ - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:pro_con_sys="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl" + xmlns:network_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -27,21 +27,21 @@ The ontology module 'process_control_system' realizes a chemical process system in terms of technical equipment for operation. The following classes and relations from other ontology modules are used within 'process_control_system': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#Device"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#Connection"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Instrument"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#Supersystem"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Plant"> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#hasOutput"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#hasInput"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#leaves"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#enters"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#Device"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#Connection"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Instrument"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#Supersystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Plant"> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#hasOutput"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#hasInput"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#leaves"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#enters"/> 2.0 @@ -60,17 +60,17 @@ The following classes and relations from other ontology modules are used within - + - + TODO: definfion eintragen - + - + TODO: definition eintragen @@ -87,60 +87,60 @@ The following classes and relations from other ontology modules are used within - + - + - - + + - + - - - + + + ControllingDevice is a direct subsystem of ProcessControlSystem and represents all controlling units in the process required - + - - + + - - + + - - + + - + 0 - + 1 - + 1 @@ -148,27 +148,27 @@ The following classes and relations from other ontology modules are used within - + - - + + Human-ProcessCommunicationDevice is a direct subsystem of ProcessControlDevice and descibes the human-machine interface by means of hardware - + - - + + - + - - + + @@ -176,12 +176,12 @@ The following classes and relations from other ontology modules are used within - + - - + + @@ -189,12 +189,12 @@ The following classes and relations from other ontology modules are used within - + - - + + @@ -202,13 +202,13 @@ The following classes and relations from other ontology modules are used within - + - - - + + + @@ -216,7 +216,7 @@ The following classes and relations from other ontology modules are used within - + 2 @@ -225,49 +225,49 @@ The following classes and relations from other ontology modules are used within - + - - - + + + MeasuringDevice is a direct subsystem of ProcessControlSystem and represents all measuring units in the process required - + - + - - - + + + - + - - + + - - + + - + - - + + @@ -275,12 +275,12 @@ The following classes and relations from other ontology modules are used within - + - - + + @@ -288,12 +288,12 @@ The following classes and relations from other ontology modules are used within - + - - + + @@ -301,8 +301,8 @@ The following classes and relations from other ontology modules are used within - - + + ProcessControlSystem is a constitutional subsystem of the OperationSystem and describes the realization of the operating subsystem. @@ -310,33 +310,33 @@ The following classes and relations from other ontology modules are used within - + - + - + - - + + - - + + - - + + - - + + - + ProcessControlSystem is a constitutional subsystem of the OperationSystem and describes the realization of the operating subsystem. diff --git a/OntoCAPE/chemical_process_system/chemical_process_system.owl b/OntoCAPE/chemical_process_system/chemical_process_system.owl index 59dac7e..88d4cfa 100644 --- a/OntoCAPE/chemical_process_system/chemical_process_system.owl +++ b/OntoCAPE/chemical_process_system/chemical_process_system.owl @@ -1,30 +1,30 @@ - - - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl" + xmlns:process="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process.owl#" + xmlns:behavior="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#" + xmlns:material="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/material.owl#" + xmlns:econ_perf="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl#" + xmlns:pro_con_sys="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_realization/process_control_system.owl#" + xmlns:phase_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl" + xmlns:network_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl" + xmlns:process_control="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process_control.owl#" + xmlns:technical_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl" + xmlns:chemical_process_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/chemical_process_system.owl"> + + + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -33,48 +33,48 @@ The ontology module 'chemical_process_system' provides different aspects of a chemical process system. The following classes and relations from other ontology modules are used within 'chemical_process_system': - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#MaterialStream"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/material.owl#Material"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#PlantItem"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process.owl#ProcessStep"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl#EconomicPerformance"> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#MaterialAmount"> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_realization/plant.owl#Plant"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process.owl#Process"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process.owl#ProcessState"> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process.owl#Leaching"> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#SinglePhase"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process.owl#Flashing"> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#MultiphaseSystem"/> - <owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_function/process.owl#TemperatureChange"> - 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<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isConsideredUnderAspectOf"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/technical_system.owl#evaluates"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/technical_system.owl#realizes"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/technical_system.owl#hasPerformanceAspect"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/technical_system.owl#hasFunctionalAspect"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/technical_system.owl#hasBehavioralAspect"/> - <owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/technical_system.owl#hasRealizationAspect"/> - 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<system:Aspect rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/technical_system.owl#performance"/> - <system:Aspect rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/technical_system.owl#function"/> - <system:Aspect rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/technical_system.owl#realization"/> - <system:Aspect rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/technical_system.owl#behavior"/> - <phase_system:StateOfAggregation rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#liquid"/> - <phase_system:StateOfAggregation rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#solid"/> - <phase_system:StateOfAggregation rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#gaseous"/> + <system:Aspect rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl#performance"/> + <system:Aspect rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl#function"/> + <system:Aspect rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl#realization"/> + <system:Aspect rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl#behavior"/> + <phase_system:StateOfAggregation rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#liquid"/> + <phase_system:StateOfAggregation rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#solid"/> + <phase_system:StateOfAggregation rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#gaseous"/> 2.0 @@ -93,72 +93,72 @@ The following classes and relations from other ontology modules are used within - + - - - + + + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -173,56 +173,56 @@ The following classes and relations from other ontology modules are used within - + - + - - + + - + - + - + - + - + - + - + - + - + - + - + - + - - + + @@ -237,7 +237,7 @@ The following classes and relations from other ontology modules are used within - + 1 @@ -247,32 +247,32 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - + - + - + - - + + @@ -287,7 +287,7 @@ The following classes and relations from other ontology modules are used within - + 1 @@ -297,76 +297,76 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - + - + - + - + - + - - + + - + 1 - + - - + + - + - + - - + + - + 1 @@ -382,7 +382,7 @@ The following classes and relations from other ontology modules are used within - + 1 @@ -394,37 +394,37 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - + - + - + - + - + - - + + @@ -439,7 +439,7 @@ The following classes and relations from other ontology modules are used within - + 1 @@ -449,32 +449,32 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - + - + - + - - + + @@ -489,7 +489,7 @@ The following classes and relations from other ontology modules are used within - + 1 @@ -499,32 +499,32 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - + - + - + - - + + @@ -539,7 +539,7 @@ The following classes and relations from other ontology modules are used within - + 1 @@ -549,32 +549,32 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - + - + - + - - + + @@ -589,7 +589,7 @@ The following classes and relations from other ontology modules are used within - + 1 @@ -601,39 +601,39 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - + - + - + - + - + - - + + @@ -648,7 +648,7 @@ The following classes and relations from other ontology modules are used within - + 1 @@ -662,39 +662,39 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - + - + - + - + - + - - + + @@ -709,7 +709,7 @@ The following classes and relations from other ontology modules are used within - + 1 @@ -723,44 +723,44 @@ The following classes and relations from other ontology modules are used within - + - + - - + + - - + + - + - + - - + + - + - + - + 1 @@ -768,64 +768,64 @@ The following classes and relations from other ontology modules are used within - + - + - - + + - - + + - + - + - - + + - - + + - + - - + + - - + + - - + + - - + + The ChemicalProcessSystem is a TechnicalSystem which is designed, built, and run in order to produce a chemical compound. @@ -833,56 +833,56 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + ProcessUnit comprises ChemicaProcessSystem parts that are considered under specific aspects but do not represent the entire ChemicalProcessSystem. @@ -890,21 +890,21 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - + @@ -919,45 +919,45 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - + - + - + - + - + - + - + - + - + diff --git a/OntoCAPE/chemical_process_system/operating_subsystem/operating_subsystem.owl b/OntoCAPE/chemical_process_system/operating_subsystem/operating_subsystem.owl index 32ed188..5e6605e 100644 --- a/OntoCAPE/chemical_process_system/operating_subsystem/operating_subsystem.owl +++ b/OntoCAPE/chemical_process_system/operating_subsystem/operating_subsystem.owl @@ -1,7 +1,7 @@ + @@ -18,15 +18,15 @@ xmlns:process_control_system="&pro_con_sys;#" xmlns:rdf="&rdf;#" xmlns:xsd="&xsd;#" - xmlns="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/operating_subsystem/operating_subsystem.owl#" + xmlns="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/operating_subsystem/operating_subsystem.owl#" xmlns:rdfs="&rdfs;#" xmlns:owl="&owl;#" xmlns:terms="http://purl.org/dc/terms/" xmlns:process_control="&process_control;#" xmlns:technical_system="&technical_system;#" - xml:base="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/operating_subsystem/operating_subsystem.owl"> + xml:base="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/operating_subsystem/operating_subsystem.owl"> - + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. @@ -70,7 +70,7 @@ - + @@ -79,7 +79,7 @@ - + diff --git a/OntoCAPE/chemical_process_system/process_units/chemical_reactor.owl b/OntoCAPE/chemical_process_system/process_units/chemical_reactor.owl index a2bca7e..9a50bad 100644 --- a/OntoCAPE/chemical_process_system/process_units/chemical_reactor.owl +++ b/OntoCAPE/chemical_process_system/process_units/chemical_reactor.owl @@ -1,7 +1,7 @@ + diff --git a/OntoCAPE/chemical_process_system/process_units/distillation_system.owl b/OntoCAPE/chemical_process_system/process_units/distillation_system.owl index 6867b3b..b5a479b 100644 --- a/OntoCAPE/chemical_process_system/process_units/distillation_system.owl +++ b/OntoCAPE/chemical_process_system/process_units/distillation_system.owl @@ -1,7 +1,7 @@ + diff --git a/OntoCAPE/chemical_process_system/process_units/flash_unit.owl b/OntoCAPE/chemical_process_system/process_units/flash_unit.owl index 67adaee..a110b41 100644 --- a/OntoCAPE/chemical_process_system/process_units/flash_unit.owl +++ b/OntoCAPE/chemical_process_system/process_units/flash_unit.owl @@ -1,7 +1,7 @@ + diff --git a/OntoCAPE/chemical_process_system/process_units/heat_transfer_unit.owl b/OntoCAPE/chemical_process_system/process_units/heat_transfer_unit.owl index af5e601..ee21b7d 100644 --- a/OntoCAPE/chemical_process_system/process_units/heat_transfer_unit.owl +++ b/OntoCAPE/chemical_process_system/process_units/heat_transfer_unit.owl @@ -1,7 +1,7 @@ + diff --git a/OntoCAPE/chemical_process_system/process_units/mixing_unit.owl b/OntoCAPE/chemical_process_system/process_units/mixing_unit.owl index 3809dff..ffe2a62 100644 --- a/OntoCAPE/chemical_process_system/process_units/mixing_unit.owl +++ b/OntoCAPE/chemical_process_system/process_units/mixing_unit.owl @@ -1,7 +1,7 @@ + diff --git a/OntoCAPE/chemical_process_system/process_units/splitting_unit.owl b/OntoCAPE/chemical_process_system/process_units/splitting_unit.owl index 2eb637b..33b96d2 100644 --- a/OntoCAPE/chemical_process_system/process_units/splitting_unit.owl +++ b/OntoCAPE/chemical_process_system/process_units/splitting_unit.owl @@ -1,7 +1,7 @@ + diff --git a/OntoCAPE/material/material.owl b/OntoCAPE/material/material.owl index 6099064..a9875bc 100644 --- a/OntoCAPE/material/material.owl +++ b/OntoCAPE/material/material.owl @@ -1,24 +1,24 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:material="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/material.owl" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#" + xmlns:phase_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#" + xmlns:technical_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -27,14 +27,14 @@ The ontology module 'material' assembles the top-level classes of the partial model 'material' and defines their mutual relations. The following classes and relations from other ontology modules are used within 'material': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#PhaseSystem"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#Substance"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#AspectSystem"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#Aspect"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#PhaseSystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#Substance"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#AspectSystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#Aspect"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasAspectSystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#representsAspectOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasAspectSystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#representsAspectOf"/> 2.0 @@ -52,43 +52,43 @@ The following classes and relations from other ontology modules are used within - + - - - - - + + + + + - + - - - - + + + + - + - - - - - + + + + + - + - - - + + + @@ -104,32 +104,32 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + - - + + - - + + @@ -147,19 +147,19 @@ The following classes and relations from other ontology modules are used within - + - - - + + + - + - - + + diff --git a/OntoCAPE/material/material_complete.owl b/OntoCAPE/material/material_complete.owl index bd4ddf7..300926d 100644 --- a/OntoCAPE/material/material_complete.owl +++ b/OntoCAPE/material/material_complete.owl @@ -1,20 +1,20 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:material="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/material.owl" + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#" + xmlns:phase_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#" + xmlns:technical_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -23,14 +23,14 @@ The ontology module 'material' assembles the top-level classes of the partial model 'material' and defines their mutual relations. The following classes and relations from other ontology modules are used within 'material': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#PhaseSystem"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#Substance"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#AspectSystem"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#Aspect"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#PhaseSystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#Substance"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#AspectSystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#Aspect"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasAspectSystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#representsAspectOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasAspectSystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#representsAspectOf"/> 2.0 @@ -65,56 +65,56 @@ The following classes and relations from other ontology modules are used within - + - - - - - + + + + + - + - - - - + + + + - + - - - - - + + + + + - + - - - + + + - + - + - + - + @@ -129,65 +129,65 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + - - + + - - + + - + - + - + - + - + - + - + - + - + - + @@ -202,19 +202,19 @@ The following classes and relations from other ontology modules are used within - + - - - + + + - + - - + + diff --git a/OntoCAPE/material/phase_system/phase_system.owl b/OntoCAPE/material/phase_system/phase_system.owl index 8cfe2a9..0e25a1b 100644 --- a/OntoCAPE/material/phase_system/phase_system.owl +++ b/OntoCAPE/material/phase_system/phase_system.owl @@ -1,24 +1,24 @@ - - - - + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#" + xmlns:phase_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#" + xmlns:network_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#" + xmlns:tensor_quantity="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/tensor_quantity.owl#" + xmlns:physical_dimension="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#" + xmlns:reaction_mechanism="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/reaction_mechanism.owl#"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -27,30 +27,30 @@ The module 'phase_system' models the thermodynamic behavior of materials. The 'phase_system' module uses the following classes, relations, and individuals from other ontology modules: -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/network_system.owl#Connection"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/reaction_mechanism.owl#ChemicalReaction"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#ExtensibleValueSet"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#PhysicalQuantity"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#PropertySet"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#ChemicalComponent"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#comprisesDirectly"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDimension"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasProperty"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isComposedOfSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectlyRelatedTo"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isExclusivelySubsystemOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isPropertyOf"/> - -<der_dim:Mechanics rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#pressure"/> -<phys_dim:BaseDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#thermodynamic_temperature"/> -<phys_dim:DerivedDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#mass_fraction"/> -<phys_dim:DerivedDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#molar_fraction"/> -<phys_dim:DerivedDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#volume_fraction"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl#Connection"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/reaction_mechanism.owl#ChemicalReaction"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#ExtensibleValueSet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#PhysicalQuantity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#PropertySet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#ChemicalComponent"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#comprisesDirectly"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDimension"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasProperty"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isComposedOfSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectlyRelatedTo"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isExclusivelySubsystemOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isPropertyOf"/> + +<der_dim:Mechanics rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#pressure"/> +<phys_dim:BaseDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#thermodynamic_temperature"/> +<phys_dim:DerivedDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#mass_fraction"/> +<phys_dim:DerivedDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#molar_fraction"/> +<phys_dim:DerivedDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#volume_fraction"/> 2.0 @@ -84,15 +84,15 @@ The 'phase_system' module uses the following classes, relations, and i - + - - + + - - + + @@ -101,49 +101,49 @@ The 'phase_system' module uses the following classes, relations, and i - + - - + + - - + + The relation hasStateOfAggregation indicates the StateOfAggregation of a SinglePhase. - + - - - + + + Auxiliary relation, introduced as workaround for a qualified cardinality restriction (QCR). - + - - - - + + + + Auxiliary relation, introduced as workaround for a qualified cardinality restriction (QCR). - + - - + + - - + + @@ -152,57 +152,57 @@ The 'phase_system' module uses the following classes, relations, and i - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -217,9 +217,9 @@ The 'phase_system' module uses the following classes, relations, and i - + - + is_catalyst_required @@ -227,9 +227,9 @@ The 'phase_system' module uses the following classes, relations, and i - + - + has_stoichiometric_value @@ -247,226 +247,226 @@ The 'phase_system' module uses the following classes, relations, and i - + - - - - - - - + + + + + + + The activity of some PhaseComponent is the ratio of the PhaseComponent’s Fugacity to the Fugacity in its standard state. - + - - - - - - + + + + + + The ActivityCoefficient of a PhaseComponent is the ratio of its Fugacity in the actual PhaseSystem, divided by its Fugacity in an ideal mixture. - + - - + + - - + + - - + + - + Composition represents the composition of a SinglePhase by assembling the concentrations of the different PhaseComponents that constitute a single phase. - + - - - - - - - + + + + + + + The mass of a PhaseSystem divided by its volume. It is the reciprocal of SpecificVolume. - + - - - - + + + + Proportionality constant, relating the flux of amount of some PhaseComponent to its concentration gradient. - + - - - + + + For a laminar flow of a fluid, the ratio of the shear stress to the VelocityGradient perpendicular to the plane of shear (McNaught & Wilkinson, 1997). - + - - - - - + + + + + The fugacity of a PhaseComponent. - + - - - - + + + + Ratio of Fugacity to the partial pressure of a PhaseComponent. - + - - + + An IntensiveProperty is a PhysicalQuantity, the Value of which does not depend on the system size or the amount of material in the system. - + - + - - + + - + An IntensiveThermodynamicStateVariable is an IntensiveProperty that characterizes the (macroscopic) thermodynamic state of a PhaseSystem. - + - - - - + + + + The ratio of the mass of a SinglePhaseInMultiphaseSystem divided by the mass of the MultiphaseSystem. - + - - + + - - + + - - + + The mass of a PhaseComponent divided by the total mass of all PhaseComponents of a PhaseSystem. - + - - - + + + The ratio of the of the (molar) amount of substance of a SinglePhaseInMultiphaseSystem divided by the the (molar) amount of substance of the MultiphaseSystem. - + - - - - + + + + The Molarity (aka amount concentration) is the molar amount of a PhaseComponent divided by the volume of the SinglePhase. - + - - + + - - + + - + The number of moles of a PhaseComponent divided by the total number of moles of all PhaseComponents in the PhaseSystem. - + - + - + - - + + - + - - + + @@ -474,98 +474,98 @@ The 'phase_system' module uses the following classes, relations, and i - + 2 - + A MultiphaseSystem is a PhaseSystem that consists of two or more SinglePhases. - + - - - + + + Mass of a PhaseComponent divided by the volume of the PhaseSystem. - + - - - + + + The partial derivative of the SpecificEnthalpy with respect to the number of moles of one PhaseComponent. - + - - - + + + A PartialMolarQuantity is the partial derivative of the considered molar quantity with respect to the number of moles of one PhaseComponent. The temperature, pressure, and the number of moles of all other PhaseComponents are held constant in the partial molar derivate. The class subsumes all kinds of Partialmolar quantities, such as PartialMolarEnthalpy or PartialMolarVolume. - + - - + + The partial derivative of the SpecificVolume with respect to the number of moles of one PhaseComponent. - + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - + 1 @@ -574,89 +574,89 @@ The 'phase_system' module uses the following classes, relations, and i - + - - + + PhaseComponentConcentration subsumes the different concentration measures for a certain PhaseComponent within a PhaseSystem. - + - - - + + + In general, the ratio of two PhysicalQuantities of the same kind, the numerator quantity applying to one particular PhaseComponent of a SinlgePhase, and the denominator to the sum of quantities of all PhaseComponents of that SinglePhase. Concretely, a PhaseComponentFraction subsumes the following concentration measures: MassFraction, VolumeFraction, and MoleFraction. - + - + - + - - + + - - + + - - - + + + An IntensiveProperty that characterizes a PhaseComponent. - + - - + + A PhaseEquilibriumRatio of a PhaseComponent in a MultiphaseSystem is a PhaseComponentProperty that denotes the ratio of the MoleFraction of this PhaseComponent in one specific SinglePhase to that in another specific SinglePhase; both SinglePhases are part of the MultiphaseSystem. - + - - - + + + - - + + - - + + - - + + - + 2 @@ -665,81 +665,81 @@ Concretely, a PhaseComponentFraction subsumes the following concentration measur - + - + - + - - + + - - + + An IntensiveProperty is an IntensiveProperty that characterizes the interface between two SinglePhases. - + - + - - - + + + - + A PhaseRatio characterizes the proportion of a SinglePhase in a MultiphaseSystem on a mass, molar, or volume basis. - + - - + + A PhaseReactionProperty is an IntensiveProperty that is a property of the occurence of a ChemicalReaction in a PhaseSystem or at a PhaseInterface. - + - + - - + + - + - - + + - - + + - + 1 @@ -748,24 +748,24 @@ Concretely, a PhaseComponentFraction subsumes the following concentration measur - + - + - + - - + + - - + + A PhaseSystemProperty is an IntensiveProperty that characterizes a PhaseSystem. It can be described or calculated without reference to the shape, size, or amount of a particular occurrence of a material. In the case of calculation, this is consistent with the usage of general-purpose physical property packages, where such information is not required as the input for the calculation. @@ -773,13 +773,13 @@ Concretely, a PhaseComponentFraction subsumes the following concentration measur - + - - + + - + 2 @@ -788,29 +788,29 @@ Concretely, a PhaseComponentFraction subsumes the following concentration measur - + - - + + - - + + - - - - + + + + The (total absolute) pressure of a PhaseSystem - + - - + + According to the IUPAC Compendium (McNaught & Wilkinson, 1997), the EquilibriumConstant is a PhysicalQuantity characterizing a chemical equilibrium of a PhaseReaction. It is defined by an expression of type K = x_1^nu_1 * x_2^nu_2 * ... x_i^nu_i , where nu_i is the StoichiometricCoefficient of a reactant (negative) or product (positive) of the reaction, and x_i stands for a PhysicalQuantity which can be the equilibrium value either of Pressure, Fugacity, Molarity, MolarFraction, molality, or Activity. Depending on the chosen quantity, one obtains one of the following types of EquilibriumConstant: pressure based, fugacity based, concentration based, amount fraction based, molality based, relative activity based, or standard equilibrium constant, respectively. These different types can be modeled as subclasses of the EquilibriumConstant. @@ -818,55 +818,55 @@ where nu_i is the StoichiometricCoefficient of a reactant (negative) or product - + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - + 1 - + 1 @@ -875,24 +875,24 @@ where nu_i is the StoichiometricCoefficient of a reactant (negative) or product - + - + - + - - + + - - + + A SinglePhase that is part of a MulitphaseSystem @@ -900,30 +900,30 @@ where nu_i is the StoichiometricCoefficient of a reactant (negative) or product - + - - + + - - + + - - + + Class used for grouping the Properties of a SinglePhaseInMultiphaseSystem. - + - - - - - + + + + + SpecificEnthalpy denotes enthalpy per unit mass, i.e., the enthalpy of a PhaseSystem divided by its mass. It is defined by the equation h = u + p*v, where u represents the specific internal energy, p the Pressure, and v the SpecificVolume of the PhaseSystem. @@ -932,12 +932,12 @@ The SI unit for SpecificEnthalpy is joules per kilogram. - + - - - - + + + + SpecificGibbsFreeEnergy denotes the Gibbs free energy per unit mass, i.e., the Gibbs free energy of a PhaseSystem divided by its mass. It is defined by the equation g = u + p*v - T*s, where u represents the specific internal energy, p the Pressure, v the SpecificVolume, T the Temperature, and s the specific entropy of the PhaseSystem. @@ -946,42 +946,42 @@ The SI unit for the SpecificGibbsFreeEnerty is joules per kilogram + - - - + + + The volume of a PhaseSystem divided by its mass. It is the reciprocal of Density. - + - - + + StateOfAggregation describes the physical state of a SinglePhase; solid, liquid, and gaseous are predefined instances of StateOfAggregation. - + - - + + Work required to increase a surface area divided by that area. When two phases are studied it is often called interfacial tension (McNaught & Wilkinson, 1997). The SI unit of SurfaceTension is newtons per meter, or joules per square metre). - + - - + + - - + + The temperature of a PhaseSystem @@ -989,33 +989,33 @@ The SI unit for the SpecificGibbsFreeEnerty is joules per kilogram + - - + + TheThermalConductivity is the coefficient relating the heat flux to the temperature gradient. - + - - - + + + A ThermodynamicStateProperty is a PhaseSystemProperty that can serve as an IntensiveThermodynamicStateVariable (i.e., characterize the thermodynamic state of a PhaseSystem). - + - - + + - - + + A TransportPhenomenaProperty is a PhaseSystemProperty that subsumes DynamicViscosity, HeatConductivity, and Diffusion Coefficient. @@ -1023,52 +1023,52 @@ The SI unit for the SpecificGibbsFreeEnerty is joules per kilogram + - + - - - - - + + + + + - + TypeOfSolid allows to further characterize the solid state of matter, according to the CAPE-OPEN Open Interface Specification “Thermodynamic and Physical properties” (Drewitz et al., 2006). - + - - + + Volume-BasedConcentration denotes the concentration of a certain PhaseComponent in a PhaseSystem with respect to the colume of PhaseSystem - + - - + + Volume of a PhaseComponent, divided by the total volume of the PhaseSystem. For ideal mixtures, this is the same as the VolumeFraction. - + - - + + - - + + The volume of a PhaseComponent divided by the sum of volumes of all PhaseComponents of thePhaseSystem prior to mixing. For ideal mixtures, this equals to the Volume-Volume percentage. @@ -1076,21 +1076,21 @@ The SI unit for the SpecificGibbsFreeEnerty is joules per kilogram + - - + + The ratio of the volume of a SinglePhaseInMultiphaseSystem to the volume of the MultiphaseSystem. - + - + - + 1 @@ -1098,39 +1098,39 @@ The SI unit for the SpecificGibbsFreeEnerty is joules per kilogram + - + - + - + - + - + - + - + - + - + - + - + @@ -1151,97 +1151,97 @@ The SI unit for the SpecificGibbsFreeEnerty is joules per kilogram + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - + - + - + - + - + - + - + - + - + @@ -1256,9 +1256,9 @@ The SI unit for the SpecificGibbsFreeEnerty is joules per kilogram - - - + + + diff --git a/OntoCAPE/material/substance/atoms.owl b/OntoCAPE/material/substance/atoms.owl index 6018229..2dc9d80 100644 --- a/OntoCAPE/material/substance/atoms.owl +++ b/OntoCAPE/material/substance/atoms.owl @@ -1,21 +1,21 @@ - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#" + xmlns:chemical_species="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#" + xmlns:molecular_structure="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/molecular_structure.owl#"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -38,33 +38,33 @@ - + - + - + - + - + - + - + - + - + - + @@ -85,9 +85,9 @@ - + - + @@ -102,11 +102,11 @@ - + - - - + + + 89 7440-34-8 InChI=1/Ac @@ -115,11 +115,11 @@ - + - - - + + + 13 7429-90-5 InChI=1/Al @@ -128,11 +128,11 @@ - + - - - + + + 95 7440-35-9 InChI=1/Am @@ -141,11 +141,11 @@ - + - - - + + + 51 7440-36-0 InChI=1/Sb @@ -154,11 +154,11 @@ - + - - - + + + 18 7440-37-1 InChI=1/Ar @@ -167,11 +167,11 @@ - + - - - + + + 33 7440-38-2 InChI=1/As @@ -180,11 +180,11 @@ - + - - - + + + 85 7440-68-8 InChI=1/At @@ -193,11 +193,11 @@ - + - - - + + + 56 7440-39-3 lnChl=1/Ba @@ -206,11 +206,11 @@ - + - - - + + + 97 7440-40-6 InChI=1/Bk @@ -219,11 +219,11 @@ - + - - - + + + 4 7440-41-7 InChI=1/Be @@ -232,11 +232,11 @@ - + - - - + + + 83 7440-69-9 InChI=1/Bi @@ -245,11 +245,11 @@ - + - - - + + + 107 54037-14-8 InChI=1/Bh @@ -258,11 +258,11 @@ - + - - - + + + 5 7440-42-8 InChI=1/B @@ -271,11 +271,11 @@ - + - - - + + + 35 10097-32-2 InChI=1/Br @@ -284,11 +284,11 @@ - + - - - + + + 48 7440-43-9 InChI=1/Cd @@ -297,11 +297,11 @@ - + - - - + + + 55 7440-46-2 lnChl=1/Cs @@ -310,11 +310,11 @@ - + - - - + + + 20 7440-70-2 InChI=1/Ca @@ -323,11 +323,11 @@ - + - - - + + + 98 7440-71-3 InChI=1/Cf @@ -336,11 +336,11 @@ - + - - - + + + 6 7440-44-0 InChI=1/C @@ -349,11 +349,11 @@ - + - - - + + + 58 7440-45-1 InChI=1/Ce @@ -362,11 +362,11 @@ - + - - - + + + 17 22537-15-1 InChI=1/Cl @@ -375,11 +375,11 @@ - + - - - + + + 24 7440-47-3 InChI=1/Cr @@ -388,11 +388,11 @@ - + - - - + + + 27 7440-48-4 InChI=1/Co @@ -401,11 +401,11 @@ - + - - - + + + 29 7440-50-8 InChI=1/Cu @@ -414,11 +414,11 @@ - + - - - + + + 96 7440-51-9 InChI=1/Cm @@ -427,11 +427,11 @@ - + - - - + + + 110 54083-77-1 InChI=1/Ds @@ -440,11 +440,11 @@ - + - - - + + + 105 53850-35-4 InChI=1/Db @@ -453,11 +453,11 @@ - + - - - + + + 66 7429-91-6 InChI=1/Dy @@ -466,11 +466,11 @@ - + - - - + + + 99 7429-92-7 InChI=1/Es @@ -479,11 +479,11 @@ - + - - - + + + 68 7440-52-0 InChI=1/Er @@ -492,11 +492,11 @@ - + - - - + + + 63 7440-53-1 InChI=1/Eu @@ -505,11 +505,11 @@ - + - - - + + + 100 7440-72-4 InChI=1/Fm @@ -518,11 +518,11 @@ - + - - - + + + 9 14762-94-8 InChI=1/F @@ -531,11 +531,11 @@ - + - - - + + + 87 7440-73-5 lnChI=1/Fr @@ -544,11 +544,11 @@ - + - - - + + + 64 7440-54-2 InChI=1/Gd @@ -557,11 +557,11 @@ - + - - - + + + 31 7440-55-3 lnChl=1/Ga @@ -570,11 +570,11 @@ - + - - - + + + 32 7440-56-4 InChI=1/Ge @@ -583,11 +583,11 @@ - + - - - + + + 79 7440-57-5 InChI=1/Au @@ -596,11 +596,11 @@ - + - - - + + + 72 7440-58-6 InChI=1/Hf @@ -609,11 +609,11 @@ - + - - - + + + 108 54037-57-9 InChI=1/Hs @@ -622,11 +622,11 @@ - + - - - + + + 2 7440-59-7 InChI=1/He @@ -635,11 +635,11 @@ - + - - - + + + 67 7440-60-0 InChI=1/Ho @@ -648,11 +648,11 @@ - + - - - + + + 1 12385-13-6 InChI=1/H @@ -661,11 +661,11 @@ - + - - - + + + 49 7440-74-6 lnChl=1/In @@ -674,11 +674,11 @@ - + - - - + + + 53 14362-44-8 InChI=1/I @@ -687,11 +687,11 @@ - + - - - + + + 77 7439-88-5 InChI=1/Ir @@ -700,11 +700,11 @@ - + - - - + + + 26 7439-89-6 InChI=1/Fe @@ -713,11 +713,11 @@ - + - - - + + + 36 7439-90-9 InChI=1/Kr @@ -726,11 +726,11 @@ - + - - - + + + 57 7439-91-0 InChI=1/La @@ -739,11 +739,11 @@ - + - - - + + + 103 22537-19-5 InChI=1/Lr @@ -752,11 +752,11 @@ - + - - - + + + 82 7439-92-1 InChI=1/Pb @@ -765,11 +765,11 @@ - + - - - + + + 3 7439-93-2 lnChl=1/Li @@ -778,11 +778,11 @@ - + - - - + + + 71 7439-94-3 InChI=1/Lu @@ -791,11 +791,11 @@ - + - - - + + + 12 7439-95-4 InChI=1/Mg @@ -804,11 +804,11 @@ - + - - - + + + 25 7439-96-5 InChI=1/Mn @@ -817,11 +817,11 @@ - + - - - + + + 109 54038-01-6 InChI=1/Mt @@ -830,11 +830,11 @@ - + - - - + + + 101 7440-11-1 InChI=1/Md @@ -843,11 +843,11 @@ - + - - - + + + 80 7439-97-6 InChI=1/Hg @@ -856,11 +856,11 @@ - + - - - + + + 42 7439-98-7 InChI=1/Mo @@ -869,11 +869,11 @@ - + - - - + + + 60 7440-00-8 InChI=1/Nd @@ -882,11 +882,11 @@ - + - - - + + + 10 7440-01-9 InChI=1/Ne @@ -895,11 +895,11 @@ - + - - - + + + 93 7439-99-8 InChI=1/Np @@ -908,11 +908,11 @@ - + - - - + + + 28 7440-02-0 InChI=1/Ni @@ -921,11 +921,11 @@ - + - - - + + + 41 7440-03-1 InChI=1/Nb @@ -934,11 +934,11 @@ - + - - - + + + 7 17778-88-0 InChI=1/N @@ -947,11 +947,11 @@ - + - - - + + + 102 10028-14-5 InChI=1/No @@ -960,11 +960,11 @@ - + - - - + + + 76 7440-04-2 InChI=1/Os @@ -973,11 +973,11 @@ - + - - - + + + 8 17778-80-2 InChI=1/O @@ -986,11 +986,11 @@ - + - - - + + + 46 7440-05-3 InChI=1/Pd @@ -999,11 +999,11 @@ - + - - - + + + 15 7723-14-0 InChI=1/P @@ -1012,11 +1012,11 @@ - + - - - + + + 78 7440-06-4 InChI=1/Pt @@ -1025,11 +1025,11 @@ - + - - - + + + 94 7440-07-5 InChI=1/Pu @@ -1038,11 +1038,11 @@ - + - - - + + + 84 7440-08-6 InChI=1/Po @@ -1051,11 +1051,11 @@ - + - - - + + + 19 7440-09-7 lnChl=1/K @@ -1064,11 +1064,11 @@ - + - - - + + + 59 7440-10-0 InChI=1/Pr @@ -1077,11 +1077,11 @@ - + - - - + + + 61 7440-12-2 InChI=1/Pm @@ -1090,11 +1090,11 @@ - + - - - + + + 91 7440-13-3 InChI=1/Pa @@ -1103,11 +1103,11 @@ - + - - - + + + 88 7440-14-4 lnChl=1/Na @@ -1116,11 +1116,11 @@ - + - - - + + + 86 10043-92-2 InChI=1/Rn @@ -1129,11 +1129,11 @@ - + - - - + + + 75 7440-15-5 InChI=1/Re @@ -1142,11 +1142,11 @@ - + - - - + + + 45 7440-16-6 InChI=1/Rh @@ -1155,11 +1155,11 @@ - + - - - + + + 111 54386-24-2 InChI=1/Rg @@ -1168,11 +1168,11 @@ - + - - - + + + 37 7440-17-7 lnChl=1/Rb @@ -1181,11 +1181,11 @@ - + - - - + + + 44 7440-18-8 InChI=1/Ru @@ -1194,11 +1194,11 @@ - + - - - + + + 104 53850-36-5 InChI=1/Rf @@ -1207,11 +1207,11 @@ - + - - - + + + 62 7440-19-9 InChI=1/Sm @@ -1220,11 +1220,11 @@ - + - - - + + + 21 7440-20-2 InChI=1/Sc @@ -1233,11 +1233,11 @@ - + - - - + + + 106 54038-81-2 InChI=1/Sg @@ -1246,11 +1246,11 @@ - + - - - + + + 34 7782-49-2 InChI=1/Se @@ -1259,11 +1259,11 @@ - + - - - + + + 14 7440-21-3 InChI=1/Si @@ -1272,11 +1272,11 @@ - + - - - + + + 47 7440-22-4 InChI=1/Ag @@ -1285,11 +1285,11 @@ - + - - - + + + 11 7440-23-5 lnChl=1/Na @@ -1298,11 +1298,11 @@ - + - - - + + + 38 7440-24-6 InChI=1/Sr @@ -1311,11 +1311,11 @@ - + - - - + + + 16 7704-34-9 InChI=1/S @@ -1324,11 +1324,11 @@ - + - - - + + + 73 7440-25-7 InChI=1/Ta @@ -1337,11 +1337,11 @@ - 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+ - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + diff --git a/OntoCAPE/material/substance/chemical_species.owl b/OntoCAPE/material/substance/chemical_species.owl index c07b501..5148dcd 100644 --- a/OntoCAPE/material/substance/chemical_species.owl +++ b/OntoCAPE/material/substance/chemical_species.owl @@ -1,24 +1,24 @@ - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#" + xmlns:der_SI_units="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/SI_unit/derived_SI_units.owl#" + xmlns:chemical_species="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -42,9 +42,9 @@ - + - + @@ -59,11 +59,11 @@ - + - - - + + + 83-32-9 InChI=1/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2 C12H10 @@ -78,11 +78,11 @@ - + - - - + + + 208-96-8 InChI=1/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H C12H8 @@ -93,11 +93,11 @@ - + - - - + + + 75-07-0 InChI=1/C2H4O/c1-2-3/h2H,1H3 C2H4O @@ -119,11 +119,11 @@ - + - - - + + + 107-20-0 InChI=1/C2H3ClO/c3-1-2-4/h2H,1H2 C2H3ClO @@ -143,11 +143,11 @@ - + - - - + + + 75-87-6 InChI=1/C2HCl3O/c3-2(4,5)1-6/h1H C2HCl3O @@ -168,11 +168,11 @@ - + - - - + + + 107-29-9 InChI=1/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+ C2H5NO @@ -190,11 +190,11 @@ - + - - - + + + 60-35-5 InChI=1/C2H5NO/c1-2(3)4/h1H3,(H2,3,4) C2H5NO @@ -209,11 +209,11 @@ - + - - - + + + 79-16-3 InChI=1/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5) C3H7NO @@ -229,11 +229,11 @@ - + - - - + + + 103-84-4 InChI=1/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10) C8H9NO @@ -261,11 +261,11 @@ - + - - - + + + 127-19-5 InChI=1/C4H9NO/c1-4(6)5(2)3/h1-3H3 C4H9NO @@ -290,11 +290,11 @@ - + - - - + + + 103-90-2 InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) C8H9NO2 @@ -503,11 +503,11 @@ - + - - - + + + 64-19-7 InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4) C2H4O2 @@ -537,11 +537,11 @@ - + - - - + + + 108-21-4 InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3 C5H10O2 @@ -568,11 +568,11 @@ - + - - - + + + 105-46-4 InChI=1/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3 C6H12O2 @@ -594,11 +594,11 @@ - + - - - + + + 540-88-5 InChI=1/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3 C6H12O2 @@ -616,11 +616,11 @@ - + - - - + + + 103-09-3 InChI=1/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3 C10H20O2 @@ -640,11 +640,11 @@ - + - - - + + + 591-87-7 InChI=1/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3 C5H8O2 @@ -661,11 +661,11 @@ - + - - - + + + 123-86-4 InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 C6H12O2 @@ -692,11 +692,11 @@ - + - - - + + + 79-11-8 InChI=1/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5) C2H3ClO2 @@ -725,11 +725,11 @@ - + - - - + + + 96-34-4 InChI=1/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3 C3H5ClO2 @@ -748,11 +748,11 @@ - + - - - + + + 105-56-6 InChI=1/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3 C5H7NO2 @@ -775,11 +775,11 @@ - + - - - + + + 105-34-0 InChI=1/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3 C4H5NO2 @@ -795,11 +795,11 @@ - + - - - + + + 622-45-7 InChI=1/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3 C8H14O2 @@ -817,11 +817,11 @@ - + - - - + + + 79-43-6 InChI=1/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) C2H2Cl2O2 @@ -840,11 +840,11 @@ - + - - - + + + 112-06-1 InChI=1/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3 C9H18O2 @@ -860,11 +860,11 @@ - + - - - + + + 79-14-1 InChI=1/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5) C2H4O3 @@ -882,11 +882,11 @@ - + - - - + + + 68-11-1 InChI=1/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4) C2H4O2S @@ -911,11 +911,11 @@ - + - - - + + + 625-45-6 InChI=1/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5) C3H6O3 @@ -928,11 +928,11 @@ - + - - - + + + 79-20-9 InChI=1/C3H6O2/c1-3(4)5-2/h1-2H3 C3H6O2 @@ -957,11 +957,11 @@ - + - - - + + + 112-17-4 InChI=1/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3 C12H24O2 @@ -977,11 +977,11 @@ - + - - - + + + 143-13-5 InChI=1/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3 C11H22O2 @@ -997,11 +997,11 @@ - + - - - + + + 112-14-1 InChI=1/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3 C10H20O2 @@ -1020,11 +1020,11 @@ - + - - - + + + 628-63-7 InChI=1/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3 C7H14O2 @@ -1058,11 +1058,11 @@ - + - - - + + + 76-03-9 InChI=1/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7) C2HCl3O2 @@ -1091,11 +1091,11 @@ - + - - - + + + 76-05-1 InChI=1/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7) C2HF3O2 @@ -1111,11 +1111,11 @@ - + - - - + + + 108-24-7 InChI=1/C4H6O3/c1-3(5)7-4(2)6/h1-2H3 C4H6O3 @@ -1141,11 +1141,11 @@ - + - - - + + + 108-05-4 InChI=1/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3 C4H6O2 @@ -1185,11 +1185,11 @@ - + - - - + + + 67-64-1 InChI=1/C3H6O/c1-3(2)4/h1-2H3 C3H6O @@ -1216,11 +1216,11 @@ - + - - - + + + 75-05-8 InChI=1/C2H3N/c1-2-3/h1H3 C2H3N @@ -1246,11 +1246,11 @@ - + - - - + + + 107-16-4 InChI=1/C2H3NO/c3-1-2-4/h4H,2H2 C2H3NO @@ -1273,11 +1273,11 @@ - + - - - + + + 98-86-2 InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 C8H8O @@ -1305,11 +1305,11 @@ - + - - - + + + 99-93-4 InChI=1/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3 C8H8O2 @@ -1335,11 +1335,11 @@ - + - - - + + + 75-36-5 InChI=1/C2H3ClO/c1-2(3)4/h1H3 C2H3ClO @@ -1356,11 +1356,11 @@ - + - - - + + + 79-04-9 InChI=1/C2H2Cl2O/c3-1-2(4)5/h1H2 C2H2Cl2O @@ -1380,11 +1380,11 @@ - + - - - + + + 79-36-7 InChI=1/C2HCl3O/c3-1(4)2(5)6/h1H C2HCl3O @@ -1403,11 +1403,11 @@ - + - - - + + + 123-54-6 InChI=1/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 C5H8O2 @@ -1431,11 +1431,11 @@ - + - - - + + + 74-86-2 InChI=1/C2H2/c1-2/h1-2H C2H2 @@ -1451,11 +1451,11 @@ - + - - - + + + 260-94-6 InChI=1/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H C13H9N @@ -1474,11 +1474,11 @@ - + - - - + + + 79-06-1 InChI=1/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5) C3H5NO @@ -1499,11 +1499,11 @@ - + - - - + + + 281-23-2 InChI=1/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2 C10H16 @@ -1513,11 +1513,11 @@ - + - - - + + + 702-79-4 InChI=1/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3 C12H20 @@ -1528,11 +1528,11 @@ - + - - - + + + 12075-68-2 InChI=1/3C2H5.2Al.ClH.2Cl/c3*1-2;;;;;/h3*1H2,2H3;;;1H;;/q;;;;+1;;;/p-1 C6H15Al2Cl3 @@ -1550,11 +1550,11 @@ - + - - - + + + 7429-90-5 InChI=1/Al Al @@ -1603,11 +1603,11 @@ - + - - - + + + 13845-12-0 InChI=1/2Al.4ClH.2Cl/h;;4*1H;;/q2*+2;;;;;;/p-4 Al2Cl6 @@ -1621,11 +1621,11 @@ - + - - - + + + 1299-86-1 C3Al4 Aluminum carbide @@ -1633,11 +1633,11 @@ - + - - - + + + 16603-84-2 InChI=1/Al.2ClH/h;2*1H/q+2;;/p-2 AlCl2 @@ -1647,11 +1647,11 @@ - + - - - + + + 13596-11-7 InChI=1/Al.ClH.O/h;1H;/q+1;;/p-1 AlClO @@ -1663,11 +1663,11 @@ - + - - - + + + 13569-23-8 InChI=1/Al.2FH/h;2*1H/q+2;;/p-2 AlF2 @@ -1678,11 +1678,11 @@ - + - - - + + + 38344-66-0 InChI=1/Al.2FH.O/h;2*1H;/q+2;;;/p-2 AlF2O @@ -1693,11 +1693,11 @@ - + - - - + + + 17949-86-9 InChI=1/2Al.4FH.2F/h;;4*1H;;/q2*+2;;;;;;/p-4 Al2F6 @@ -1707,11 +1707,11 @@ - + - - - + + + 20768-67-6 HAlO Aluminum hydroxide @@ -1719,11 +1719,11 @@ - + - - - + + + 24623-77-6 InChI=1/Al.H2O.O/h;1H2;/q+1;;/p-1 HAlO2 @@ -1739,11 +1739,11 @@ - + - - - + + + 18898-35-6 InChI=1/2Al.6HI/h;;6*1H/q2*+3;;;;;;/p-6 Al2I6 @@ -1753,11 +1753,11 @@ - + - - - + + + 22359-97-3 InChI=1/Al.BrH/h;1H/q+1;/p-1 AlBr @@ -1768,11 +1768,11 @@ - + - - - + + + 13595-81-8 InChI=1/Al.ClH/h;1H/q+1;/p-1 AlCl @@ -1783,11 +1783,11 @@ - + - - - + + + 13595-82-9 InChI=1/Al.FH/h;1H/q+1;/p-1 AlF @@ -1798,11 +1798,11 @@ - + - - - + + + 13596-12-8 InChI=1/Al.FH.O/h;1H;/q+1;;/p-1 AlFO @@ -1816,11 +1816,11 @@ - + - - - + + + 20859-73-8 InChI=1/Al.P AlP @@ -1838,11 +1838,11 @@ - + - - - + + + 23330-86-1 AlTe Aluminum monotelluride @@ -1850,11 +1850,11 @@ - + - - - + + + 14457-64-8 InChI=1/Al.O AlO @@ -1865,11 +1865,11 @@ - + - - - + + + 24304-00-5 InChI=1/Al.N AlN @@ -1880,11 +1880,11 @@ - + - - - + + + 11092-32-3 InChI=1/Al.2O AlO2 @@ -1894,11 +1894,11 @@ - + - - - + + + 12141-46-7 Al2O5Si Aluminum silicate @@ -1906,11 +1906,11 @@ - + - - - + + + 12251-90-0 AlS Aluminum sulfide @@ -1918,11 +1918,11 @@ - + - - - + + + 7727-15-3 InChI=1/Al.3BrH/h;3*1H/q+3;;;/p-3 AlBr3 @@ -1938,11 +1938,11 @@ - + - - - + + + 7446-70-0 InChI=1/Al.3ClH/h;3*1H/q+3;;;/p-3 AlCl3 @@ -1970,11 +1970,11 @@ - + - - - + + + 7784-18-1 InChI=1/Al.3FH/h;3*1H/q+3;;;/p-3 AlF3 @@ -1989,11 +1989,11 @@ - + - - - + + + 7784-23-8 InChI=1/Al.3HI/h;3*1H/q+3;;;/p-3 AlI3 @@ -2005,11 +2005,11 @@ - + - - - + + + 7440-35-9 InChI=1/Am Am @@ -2019,11 +2019,11 @@ - + - - - + + + 15117-84-7 InChI=1/H2N/h1H2/i1D2 D2N @@ -2033,11 +2033,11 @@ - + - - - + + + 13770-40-6 InChI=1/H2N/h1H2 H2N @@ -2048,11 +2048,11 @@ - + - - - + + + 7664-41-7 InChI=1/H3N/h1H3 H3N @@ -2068,11 +2068,11 @@ - + - - - + + + 13550-49-7 InChI=1/H3N/h1H3/i/hD3 D3N @@ -2082,11 +2082,11 @@ - + - - - + + + 7803-63-6 InChI=1/H5NO4S/c1-5-6(2,3)4/h1H4,(H,2,3,4) H5NO4S @@ -2103,11 +2103,11 @@ - + - - - + + + 12125-02-9 InChI=1/ClH.H3N/h1H;1H3 H4ClN @@ -2132,11 +2132,11 @@ - + - - - + + + 12027-06-4 InChI=1/HI.H3N/h1H;1H3 H4IN @@ -2147,11 +2147,11 @@ - + - - - + + + 6484-52-2 InChI=1/H4N2O3/c1-5-2(3)4/h1H4 H4N2O3 @@ -2174,11 +2174,11 @@ - + - - - + + + 1113-38-8 InChI=1/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3 C2H8N2O4 @@ -2191,11 +2191,11 @@ - + - - - + + + 7790-98-9 InChI=1/ClH4NO4/c2-6-1(3,4)5/h2H4 H4ClNO4 @@ -2209,11 +2209,11 @@ - + - - - + + + 7783-20-2 InChI=1/H8N2O4S/c1-5-7(3,4)6-2/h1-2H4 H8N2O4S @@ -2234,11 +2234,11 @@ - + - - - + + + 12183-80-1 Al2O5Si Andalusite @@ -2246,11 +2246,11 @@ - + - - - + + + 4180-23-8 InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+ C10H12O @@ -2271,11 +2271,11 @@ - + - - - + + + 62-53-3 InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2 C6H7N @@ -2307,11 +2307,11 @@ - + - - - + + + 88-21-1 InChI=1/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10) C6H7NO3S @@ -2334,11 +2334,11 @@ - + - - - + + + 100-61-8 InChI=1/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3 C7H9N @@ -2364,11 +2364,11 @@ - + - - - + + + 120-12-7 InChI=1/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H C14H10 @@ -2386,11 +2386,11 @@ - + - - - + + + 7440-36-0 InChI=1/Sb Sb @@ -2408,11 +2408,11 @@ - + - - - + + + 58428-34-5 SbSe Antimony monoselenide @@ -2420,11 +2420,11 @@ - + - - - + + + 7647-18-9 InChI=1/5ClH.Sb/h5*1H;/q;;;;;+5/p-5 Cl5Sb @@ -2450,11 +2450,11 @@ - + - - - + + + 7789-61-9 InChI=1/3BrH.Sb/h3*1H;/q;;;+3/p-3 Br3Sb @@ -2468,11 +2468,11 @@ - + - - - + + + 10025-91-9 InChI=1/3ClH.Sb/h3*1H;/q;;;+3/p-3 Cl3Sb @@ -2500,11 +2500,11 @@ - + - - - + + + 7783-56-4 InChI=1/3FH.Sb/h3*1H;/q;;;+3/p-3 F3Sb @@ -2521,11 +2521,11 @@ - + - - - + + + 7790-44-5 InChI=1/3HI.Sb/h3*1H;/q;;;+3/p-3 I3Sb @@ -2538,11 +2538,11 @@ - + - - - + + + 7440-37-1 InChI=1/Ar Ar @@ -2555,11 +2555,11 @@ - + - - - + + + 7440-38-2 InChI=1/As As @@ -2578,11 +2578,11 @@ - + - - - + + + 12005-99-1 AsO Arsenic monoxide @@ -2590,11 +2590,11 @@ - + - - - + + + 7784-36-3 InChI=1/AsF5/c2-1(3,4,5)6 AsF5 @@ -2605,11 +2605,11 @@ - + - - - + + + 7784-33-0 InChI=1/AsBr3/c2-1(3)4 AsBr3 @@ -2627,11 +2627,11 @@ - + - - - + + + 7784-34-1 InChI=1/AsCl3/c2-1(3)4 AsCl3 @@ -2656,11 +2656,11 @@ - + - - - + + + 7784-35-2 InChI=1/AsF3/c2-1(3)4 AsF3 @@ -2677,11 +2677,11 @@ - + - - - + + + 7784-45-4 InChI=1/AsI3/c2-1(3)4 AsI3 @@ -2696,11 +2696,11 @@ - + - - - + + + 7784-42-1 InChI=1/AsH3/h1H3 H3As @@ -2719,11 +2719,11 @@ - + - - - + + + 14720-21-9 AuF3 AuF3 @@ -2731,11 +2731,11 @@ - + - - - + + + 75-55-8 InChI=1/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3 C3H7N @@ -2756,11 +2756,11 @@ - + - - - + + + 131794-23-5 CBO BCO @@ -2768,11 +2768,11 @@ - + - - - + + + 10043-35-3 InChI=1/BH3O3/c2-1(3)4/h2-4H H3BO3 @@ -2801,11 +2801,11 @@ - + - - - + + + 7440-39-3 InChI=1/Ba Ba @@ -2818,11 +2818,11 @@ - + - - - + + + 10553-31-8 InChI=1/Ba.2BrH/h;2*1H/q+2;;/p-2 BaBr2 @@ -2834,11 +2834,11 @@ - + - - - + + + 10361-37-2 InChI=1/Ba.2ClH/h;2*1H/q+2;;/p-2 BaCl2 @@ -2853,11 +2853,11 @@ - + - - - + + + 17194-00-2 InChI=1/Ba.2H2O/h;2*1H2/q+2;;/p-2 H2BaO2 @@ -2871,11 +2871,11 @@ - + - - - + + + 13718-50-8 InChI=1/Ba.2HI/h;2*1H/q+2;;/p-2 BaI2 @@ -2887,11 +2887,11 @@ - + - - - + + + 7787-32-8 InChI=1/Ba.2FH/h;2*1H/q+2;;/p-2 BaF2 @@ -2903,11 +2903,11 @@ - + - - - + + + 14832-99-6 BaCl Barium monochloride @@ -2915,11 +2915,11 @@ - + - - - + + + 13966-70-6 InChI=1/Ba.FH/h;1H/q+1;/p-1 BaF @@ -2930,11 +2930,11 @@ - + - - - + + + 12524-20-8 BaI Barium monoiodide @@ -2942,11 +2942,11 @@ - + - - - + + + 1304-28-5 InChI=1/Ba.O BaO @@ -2965,11 +2965,11 @@ - + - - - + + + 10022-31-8 BaN2O6 Barium nitrate @@ -2977,11 +2977,11 @@ - + - - - + + + 21109-95-5 InChI=1/Ba.S BaS @@ -2993,11 +2993,11 @@ - + - - - + + + 7787-37-3 BaMoO4 Barium tetraoxomolybdate @@ -3005,11 +3005,11 @@ - + - - - + + + 121855-89-8 InChI=1/Ba.4O.W/q+2;;;2*-1; BaO4W @@ -3018,11 +3018,11 @@ - + - - - + + + 56-55-3 InChI=1/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H C18H12 @@ -3047,11 +3047,11 @@ - + - - - + + + 100-52-7 InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H C7H6O @@ -3078,11 +3078,11 @@ - + - - - + + + 90-02-8 InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H C7H6O2 @@ -3100,11 +3100,11 @@ - + - - - + + + 529-20-4 InChI=1/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3 C8H8O @@ -3121,11 +3121,11 @@ - + - - - + + + 100-10-7 InChI=1/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3 C9H11NO @@ -3152,11 +3152,11 @@ - + - - - + + + 123-08-0 InChI=1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H C7H6O2 @@ -3174,11 +3174,11 @@ - + - - - + + + 121-33-5 InChI=1/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 C8H8O3 @@ -3208,11 +3208,11 @@ - + - - - + + + 104-87-0 InChI=1/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3 C8H8O @@ -3230,11 +3230,11 @@ - + - - - + + + 95-53-4 InChI=1/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3 C7H9N @@ -3263,11 +3263,11 @@ - + - - - + + + 119-75-5 InChI=1/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H C12H10N2O2 @@ -3286,11 +3286,11 @@ - + - - - + + + 579-66-8 InChI=1/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3 C10H15N @@ -3302,11 +3302,11 @@ - + - - - + + + 108-44-1 InChI=1/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3 C7H9N @@ -3331,11 +3331,11 @@ - + - - - + + + 95-76-1 InChI=1/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2 C6H5Cl2N @@ -3354,11 +3354,11 @@ - + - - - + + + 60-09-3 InChI=1/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2/b15-14+ C12H11N3 @@ -3418,11 +3418,11 @@ - + - - - + + + 103-69-5 InChI=1/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 C8H11N @@ -3442,11 +3442,11 @@ - + - - - + + + 91-66-7 InChI=1/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3 C10H15N @@ -3467,11 +3467,11 @@ - + - - - + + + 121-69-7 InChI=1/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3 C8H11N @@ -3495,11 +3495,11 @@ - + - - - + + + 71-43-2 InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H C6H6 @@ -3533,11 +3533,11 @@ - + - - - + + + 106-38-7 InChI=1/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 C7H7Br @@ -3559,11 +3559,11 @@ - + - - - + + + 95-49-8 InChI=1/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3 C7H7Cl @@ -3583,11 +3583,11 @@ - + - - - + + + 88-73-3 InChI=1/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H C6H4ClNO2 @@ -3608,11 +3608,11 @@ - + - - - + + + 121-17-5 InChI=1/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H C7H3ClF3NO2 @@ -3636,11 +3636,11 @@ - + - - - + + + 97-00-7 InChI=1/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H C6H3ClN2O4 @@ -3665,11 +3665,11 @@ - + - - - + + + 121-73-3 InChI=1/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H C6H4ClNO2 @@ -3687,11 +3687,11 @@ - + - - - + + + 98-56-6 InChI=1/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H C7H4ClF3 @@ -3712,11 +3712,11 @@ - + - - - + + + 106-43-4 InChI=1/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 C7H7Cl @@ -3734,11 +3734,11 @@ - + - - - + + + 100-00-5 InChI=1/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H C6H4ClNO2 @@ -3766,11 +3766,11 @@ - + - - - + + + 611-15-4 InChI=1/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3 C9H10 @@ -3788,11 +3788,11 @@ - + - - - + + + 100-80-1 InChI=1/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3 C9H10 @@ -3808,11 +3808,11 @@ - + - - - + + + 622-97-9 InChI=1/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3 C9H10 @@ -3831,11 +3831,11 @@ - + - - - + + + 611-14-3 InChI=1/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3 C9H12 @@ -3856,11 +3856,11 @@ - + - - - + + + 933-98-2 InChI=1/C10H14/c1-4-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3 C10H14 @@ -3875,11 +3875,11 @@ - + - - - + + + 874-41-9 InChI=1/C10H14/c1-4-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3 C10H14 @@ -3894,11 +3894,11 @@ - + - - - + + + 620-14-4 InChI=1/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3 C9H12 @@ -3921,11 +3921,11 @@ - + - - - + + + 934-74-7 InChI=1/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3 C10H14 @@ -3940,11 +3940,11 @@ - + - - - + + + 91-23-6 InChI=1/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3 C7H7NO3 @@ -3964,11 +3964,11 @@ - + - - - + + + 88-72-2 InChI=1/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3 C7H7NO2 @@ -3986,11 +3986,11 @@ - + - - - + + + 1074-17-5 InChI=1/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3 C10H14 @@ -4005,11 +4005,11 @@ - + - - - + + + 121-14-2 InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3 C7H6N2O4 @@ -4029,11 +4029,11 @@ - + - - - + + + 99-08-1 InChI=1/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3 C7H7NO2 @@ -4051,11 +4051,11 @@ - + - - - + + + 1074-43-7 InChI=1/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3 C10H14 @@ -4070,11 +4070,11 @@ - + - - - + + + 618-85-9 InChI=1/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3 C7H6N2O4 @@ -4087,11 +4087,11 @@ - + - - - + + + 99-87-6 InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3 C10H14 @@ -4128,11 +4128,11 @@ - + - - - + + + 99-99-0 InChI=1/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3 C7H7NO2 @@ -4151,11 +4151,11 @@ - + - - - + + + 1074-55-1 InChI=1/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3 C10H14 @@ -4171,11 +4171,11 @@ - + - - - + + + 98-46-4 InChI=1/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H C7H4F3NO2 @@ -4200,11 +4200,11 @@ - + - - - + + + 1889-67-4 InChI=1/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3 C18H22 @@ -4226,11 +4226,11 @@ - + - - - + + + 103-50-4 InChI=1/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2 C14H14O @@ -4246,11 +4246,11 @@ - + - - - + + + 101-68-8 InChI=1/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2 C15H10N2O2 @@ -4324,11 +4324,11 @@ - + - - - + + + 1520-42-9 InChI=1/C20H18/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2 C20H18 @@ -4340,11 +4340,11 @@ - + - - - + + + 58-72-0 InChI=1/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H C20H16 @@ -4360,11 +4360,11 @@ - + - - - + + + 632-50-8 InChI=1/C26H22/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H C26H22 @@ -4379,11 +4379,11 @@ - + - - - + + + 632-51-9 InChI=1/C26H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H C26H20 @@ -4399,11 +4399,11 @@ - + - - - + + + 95-50-1 InChI=1/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H C6H4Cl2 @@ -4437,11 +4437,11 @@ - + - - - + + + 102-36-3 InChI=1/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H C7H3Cl2NO @@ -4454,11 +4454,11 @@ - + - - - + + + 99-54-7 InChI=1/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H C6H3Cl2NO2 @@ -4471,11 +4471,11 @@ - + - - - + + + 135-01-3 InChI=1/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3 C10H14 @@ -4488,11 +4488,11 @@ - + - - - + + + 95-47-6 InChI=1/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3 C8H10 @@ -4510,11 +4510,11 @@ - + - - - + + + 528-29-0 InChI=1/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H C6H4N2O4 @@ -4529,11 +4529,11 @@ - + - - - + + + 87-61-6 InChI=1/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H C6H3Cl3 @@ -4546,11 +4546,11 @@ - + - - - + + + 526-73-8 InChI=1/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3 C9H12 @@ -4562,11 +4562,11 @@ - + - - - + + + 488-23-3 InChI=1/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3 C10H14 @@ -4578,11 +4578,11 @@ - + - - - + + + 527-53-7 InChI=1/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3 C10H14 @@ -4593,11 +4593,11 @@ - + - - - + + + 120-82-1 InChI=1/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H C6H3Cl3 @@ -4616,11 +4616,11 @@ - + - - - + + + 877-44-1 InChI=1/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h7-9H,4-6H2,1-3H3 C12H18 @@ -4630,11 +4630,11 @@ - + - - - + + + 95-63-6 InChI=1/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3 C9H12 @@ -4655,11 +4655,11 @@ - + - - - + + + 95-93-2 InChI=1/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3 C10H14 @@ -4671,11 +4671,11 @@ - + - - - + + + 99-62-7 InChI=1/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3 C12H18 @@ -4692,11 +4692,11 @@ - + - - - + + + 108-36-1 InChI=1/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H C6H4Br2 @@ -4708,11 +4708,11 @@ - + - - - + + + 541-73-1 InChI=1/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H C6H4Cl2 @@ -4728,11 +4728,11 @@ - + - - - + + + 108-57-6 InChI=1/C10H10/c1-3-9-6-5-7-10(4-2)8-9/h3-8H,1-2H2 C10H10 @@ -4747,11 +4747,11 @@ - + - - - + + + 141-93-5 InChI=1/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3 C10H14 @@ -4764,11 +4764,11 @@ - + - - - + + + 91-08-7 InChI=1/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3 C9H6N2O2 @@ -4801,11 +4801,11 @@ - + - - - + + + 108-38-3 InChI=1/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3 C8H10 @@ -4823,11 +4823,11 @@ - + - - - + + + 99-65-0 InChI=1/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H C6H4N2O4 @@ -4844,11 +4844,11 @@ - + - - - + + + 108-70-3 InChI=1/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H C6H3Cl3 @@ -4861,11 +4861,11 @@ - + - - - + + + 102-25-0 InChI=1/C12H18/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3 C12H18 @@ -4875,11 +4875,11 @@ - + - - - + + + 108-67-8 InChI=1/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 C9H12 @@ -4897,11 +4897,11 @@ - + - - - + + + 100-18-5 InChI=1/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3 C12H18 @@ -4916,11 +4916,11 @@ - + - - - + + + 1012-72-2 InChI=1/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3 C14H22 @@ -4932,11 +4932,11 @@ - + - - - + + + 106-46-7 InChI=1/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H C6H4Cl2 @@ -4988,11 +4988,11 @@ - + - - - + + + 105-05-5 InChI=1/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3 C10H14 @@ -5006,11 +5006,11 @@ - + - - - + + + 100-25-4 InChI=1/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H C6H4N2O4 @@ -5025,11 +5025,11 @@ - + - - - + + + 1758-88-9 InChI=1/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3 C10H14 @@ -5044,11 +5044,11 @@ - + - - - + + + 606-20-2 InChI=1/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3 C7H6N2O4 @@ -5063,11 +5063,11 @@ - + - - - + + + 619-15-8 InChI=1/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3 C7H6N2O4 @@ -5080,11 +5080,11 @@ - + - - - + + + 320-60-5 InChI=1/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H C7H3Cl2F3 @@ -5096,11 +5096,11 @@ - + - - - + + + 95-73-8 InChI=1/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3 C7H6Cl2 @@ -5112,11 +5112,11 @@ - + - - - + + + 584-84-9 InChI=1/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3 C9H6N2O2 @@ -5172,11 +5172,11 @@ - + - - - + + + 934-80-5 InChI=1/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3 C10H14 @@ -5191,11 +5191,11 @@ - + - - - + + + 610-39-9 InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3 C7H6N2O4 @@ -5208,11 +5208,11 @@ - + - - - + + + 98-82-8 InChI=1/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3 C9H12 @@ -5239,11 +5239,11 @@ - + - - - + + + 135-98-8 InChI=1/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 C10H14 @@ -5259,11 +5259,11 @@ - + - - - + + + 538-93-2 InChI=1/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 C10H14 @@ -5279,11 +5279,11 @@ - + - - - + + + 98-87-3 InChI=1/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H C7H6Cl2 @@ -5309,11 +5309,11 @@ - + - - - + + + 539-30-0 InChI=1/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 C9H12O @@ -5327,11 +5327,11 @@ - + - - - + + + 98-07-7 InChI=1/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H C7H5Cl3 @@ -5365,11 +5365,11 @@ - + - - - + + + 98-08-8 InChI=1/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H C7H5F3 @@ -5390,11 +5390,11 @@ - + - - - + + + 108-86-1 InChI=1/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H C6H5Br @@ -5409,11 +5409,11 @@ - + - - - + + + 104-51-8 InChI=1/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3 C10H14 @@ -5427,11 +5427,11 @@ - + - - - + + + 108-90-7 InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H C6H5Cl @@ -5460,11 +5460,11 @@ - + - - - + + + 827-52-1 InChI=1/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2 C12H16 @@ -5477,11 +5477,11 @@ - + - - - + + + 104-72-3 InChI=1/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3 C16H26 @@ -5494,11 +5494,11 @@ - + - - - + + + 103-73-1 InChI=1/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3 C8H10O @@ -5514,11 +5514,11 @@ - + - - - + + + 462-06-6 InChI=1/C6H5F/c7-6-4-2-1-3-5-6/h1-5H C6H5F @@ -5532,11 +5532,11 @@ - + - - - + + + 118-74-1 InChI=1/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9 C6Cl6 @@ -5577,11 +5577,11 @@ - + - - - + + + 1459-09-2 InChI=1/C22H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3 C22H38 @@ -5596,11 +5596,11 @@ - + - - - + + + 604-88-6 InChI=1/C18H30/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h7-12H2,1-6H3 C18H30 @@ -5612,11 +5612,11 @@ - + - - - + + + 392-56-3 InChI=1/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9 C6F6 @@ -5629,11 +5629,11 @@ - + - - - + + + 87-85-4 InChI=1/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3 C12H18 @@ -5645,11 +5645,11 @@ - + - - - + + + 591-50-4 InChI=1/C6H5I/c7-6-4-2-1-3-5-6/h1-5H C6H5I @@ -5661,11 +5661,11 @@ - + - - - + + + 103-71-9 InChI=1/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H C7H5NO @@ -5686,11 +5686,11 @@ - + - - - + + + 100-66-3 InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3 C7H8O @@ -5708,11 +5708,11 @@ - + - - - + + + 98-95-3 InChI=1/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H C6H5NO2 @@ -5733,11 +5733,11 @@ - + - - - + + + 1081-77-2 InChI=1/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3 C15H24 @@ -5750,11 +5750,11 @@ - + - - - + + + 4445-07-2 InChI=1/C24H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h17,19-20,22-23H,2-16,18,21H2,1H3 C24H42 @@ -5768,11 +5768,11 @@ - + - - - + + + 2131-18-2 InChI=1/C21H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h14,16-17,19-20H,2-13,15,18H2,1H3 C21H36 @@ -5785,11 +5785,11 @@ - + - - - + + + 700-12-9 InChI=1/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3 C11H16 @@ -5801,11 +5801,11 @@ - + - - - + + + 538-68-1 InChI=1/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3 C11H16 @@ -5824,11 +5824,11 @@ - + - - - + + + 103-65-1 InChI=1/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 C9H12 @@ -5844,11 +5844,11 @@ - + - - - + + + 98-06-6 InChI=1/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3 C10H14 @@ -5868,11 +5868,11 @@ - + - - - + + + 1459-10-5 InChI=1/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3 C20H34 @@ -5886,11 +5886,11 @@ - + - - - + + + 123-02-4 InChI=1/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3 C19H32 @@ -5905,11 +5905,11 @@ - + - - - + + + 6742-54-7 InChI=1/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3 C17H28 @@ -5924,11 +5924,11 @@ - + - - - + + + 93-53-8 InChI=1/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3 C9H10O @@ -5955,11 +5955,11 @@ - + - - - + + + 104-01-8 InChI=1/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) C9H10O3 @@ -5976,11 +5976,11 @@ - + - - - + + + 140-29-4 InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2 C8H7N @@ -6004,11 +6004,11 @@ - + - - - + + + 60-12-8 InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 C8H10O @@ -6047,11 +6047,11 @@ - + - - - + + + 1123-85-9 InChI=1/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 C9H12O @@ -6072,11 +6072,11 @@ - + - - - + + + 100-53-8 InChI=1/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 C7H8S @@ -6098,11 +6098,11 @@ - + - - - + + + 93-54-9 InChI=1/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3 C9H12O @@ -6146,11 +6146,11 @@ - + - - - + + + 617-94-7 InChI=1/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3 C9H12O @@ -6171,11 +6171,11 @@ - + - - - + + + 98-11-3 InChI=1/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9) C6H6O3S @@ -6189,11 +6189,11 @@ - + - - - + + + 108-98-5 InChI=1/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H C6H6S @@ -6211,11 +6211,11 @@ - + - - - + + + 92-87-5 InChI=1/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2 C12H12N2 @@ -6249,11 +6249,11 @@ - + - - - + + + 95-15-8 InChI=1/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H C8H6S @@ -6274,11 +6274,11 @@ - + - - - + + + 65-85-0 InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) C7H6O2 @@ -6322,11 +6322,11 @@ - + - - - + + + 50-78-2 InChI=1/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) C9H8O4 @@ -6475,11 +6475,11 @@ - + - - - + + + 118-91-2 InChI=1/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) C7H5ClO2 @@ -6494,11 +6494,11 @@ - + - - - + + + 69-72-7 InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) C7H6O3 @@ -6553,11 +6553,11 @@ - + - - - + + + 118-90-1 InChI=1/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) C8H8O2 @@ -6571,11 +6571,11 @@ - + - - - + + + 619-66-9 InChI=1/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11) C8H6O3 @@ -6590,11 +6590,11 @@ - + - - - + + + 99-94-5 InChI=1/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10) C8H8O2 @@ -6610,11 +6610,11 @@ - + - - - + + + 136-60-7 InChI=1/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 C11H14O2 @@ -6632,11 +6632,11 @@ - + - - - + + + 93-89-0 InChI=1/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 C9H10O2 @@ -6650,11 +6650,11 @@ - + - - - + + + 93-58-3 InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 C8H8O2 @@ -6674,11 +6674,11 @@ - + - - - + + + 100-47-0 InChI=1/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H C7H5N @@ -6694,11 +6694,11 @@ - + - - - + + + 119-61-9 InChI=1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H C13H10O @@ -6722,11 +6722,11 @@ - + - - - + + + 98-88-4 InChI=1/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H C7H5ClO @@ -6740,11 +6740,11 @@ - + - - - + + + 618-46-2 InChI=1/C7H4Cl2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H C7H4Cl2O @@ -6756,11 +6756,11 @@ - + - - - + + + 94-36-0 InChI=1/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H C14H10O4 @@ -6899,11 +6899,11 @@ - + - - - + + + 120-51-4 InChI=1/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 C14H12O2 @@ -6935,11 +6935,11 @@ - + - - - + + + 100-51-6 InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 C7H8O @@ -6964,11 +6964,11 @@ - + - - - + + + 100-44-7 InChI=1/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 C7H7Cl @@ -6996,11 +6996,11 @@ - + - - - + + + 140-11-4 InChI=1/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 C9H10O2 @@ -7019,11 +7019,11 @@ - + - - - + + + 100-46-9 InChI=1/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2 C7H9N @@ -7040,11 +7040,11 @@ - + - - - + + + 14452-60-9 Be2 Beryllium @@ -7052,11 +7052,11 @@ - + - - - + + + 12004-06-7 Al2BeO4 Beryllium aluminum oxide @@ -7064,11 +7064,11 @@ - + - - - + + + 110682-18-3 InChI=1/BO2.Be/c2-1-3;/q-2;+2 BBeO2 @@ -7078,11 +7078,11 @@ - + - - - + + + 13814-49-8 BeBr Beryllium bromide @@ -7090,11 +7090,11 @@ - + - - - + + + 506-66-1 CBe2 Beryllium dicarbide @@ -7102,11 +7102,11 @@ - + - - - + + + 7787-47-5 InChI=1/Be.2ClH/h;2*1H/q+2;;/p-2 BeCl2 @@ -7120,11 +7120,11 @@ - + - - - + + + 7787-49-7 InChI=1/Be.2FH/h;2*1H/q+2;;/p-2 BeF2 @@ -7138,11 +7138,11 @@ - + - - - + + + 13327-32-7 InChI=1/Be.2H2O/h;2*1H2/q+2;;/p-2 H2BeO2 @@ -7153,11 +7153,11 @@ - + - - - + + + 13597-98-3 BeI Beryllium iodide @@ -7165,11 +7165,11 @@ - + - - - + + + 13597-96-1 BeF Beryllium monofluoride @@ -7177,11 +7177,11 @@ - + - - - + + + 13597-97-2 InChI=1/Be.H HBe @@ -7192,11 +7192,11 @@ - + - - - + + + 1304-56-9 InChI=1/Be.O BeO @@ -7213,11 +7213,11 @@ - + - - - + + + 1304-54-7 Be3N2 Beryllium nitride @@ -7225,11 +7225,11 @@ - + - - - + + + 13510-49-1 InChI=1/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 BeO4S @@ -7244,11 +7244,11 @@ - + - - - + + + 13598-22-6 InChI=1/Be.S BeS @@ -7259,11 +7259,11 @@ - + - - - + + + 18304-19-3 BeO4W Beryllium tungsten oxide @@ -7271,11 +7271,11 @@ - + - - - + + + 107-89-1 InChI=1/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3 C4H8O2 @@ -7295,11 +7295,11 @@ - + - - - + + + 127-91-3 InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3 C10H16 @@ -7324,11 +7324,11 @@ - + - - - + + + 111-44-4 InChI=1/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2 C4H8Cl2O @@ -7380,11 +7380,11 @@ - + - - - + + + 555-10-2 InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3 C10H16 @@ -7399,11 +7399,11 @@ - + - - - + + + 103-29-7 InChI=1/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2 C14H14 @@ -7424,11 +7424,11 @@ - + - - - + + + 3048-64-4 InChI=1/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7-9H,1,5-6H2 C9H12 @@ -7446,11 +7446,11 @@ - + - - - + + + 16219-75-3 InChI=1/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2+ C9H12 @@ -7467,11 +7467,11 @@ - + - - - + + + 92-52-4 InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H C12H10 @@ -7491,11 +7491,11 @@ - + - - - + + + 117-81-7 InChI=1/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3 C24H38O4 @@ -7587,11 +7587,11 @@ - + - - - + + + 7440-69-9 InChI=1/Bi Bi @@ -7602,11 +7602,11 @@ - + - - - + + + 12187-12-1 Bi2 Bismuth dimer @@ -7614,11 +7614,11 @@ - + - - - + + + 7787-58-8 InChI=1/Bi.3BrH/h;3*1H/q+3;;;/p-3 BiBr3 @@ -7629,11 +7629,11 @@ - + - - - + + + 7787-60-2 InChI=1/Bi.3ClH/h;3*1H/q+3;;;/p-3 BiCl3 @@ -7648,11 +7648,11 @@ - + - - - + + + 7787-61-3 InChI=1/Bi.3FH/h;3*1H/q+3;;;/p-3 BiF3 @@ -7664,11 +7664,11 @@ - + - - - + + + 7787-64-6 InChI=1/Bi.3HI/h;3*1H/q+3;;;/p-3 BiI3 @@ -7681,11 +7681,11 @@ - + - - - + + + 10294-34-5 InChI=1/BCl3/c2-1(3)4 BCl3 @@ -7703,11 +7703,11 @@ - + - - - + + + 7637-07-2 InChI=1/BF3/c2-1(3)4 BF3 @@ -7725,11 +7725,11 @@ - + - - - + + + 13766-26-2 InChI=1/BH/h1H HB @@ -7740,11 +7740,11 @@ - + - - - + + + 13768-60-0 BF Borane(1), fluoro- @@ -7752,11 +7752,11 @@ - + - - - + + + 688-74-4 InChI=1/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3 C12H27BO3 @@ -7783,11 +7783,11 @@ - + - - - + + + 12011-54-0 CB Boron carbide @@ -7795,11 +7795,11 @@ - + - - - + + + 23361-55-9 InChI=1/BClO/c2-1-3 BClO @@ -7809,11 +7809,11 @@ - + - - - + + + 19961-29-6 BBr Boron monobromide @@ -7821,11 +7821,11 @@ - + - - - + + + 20583-55-5 InChI=1/BCl/c1-2 BCl @@ -7836,11 +7836,11 @@ - + - - - + + + 20205-91-8 BP Boron monophosphide @@ -7848,11 +7848,11 @@ - + - - - + + + 10043-11-5 InChI=1/BN/c1-2 BN @@ -7865,11 +7865,11 @@ - + - - - + + + 13460-50-9 InChI=1/BHO2/c2-1-3/h2H HBO2 @@ -7883,11 +7883,11 @@ - + - - - + + + 12007-33-9 InChI=1/B2S3/c3-1-5-2-4 B2S3 @@ -7897,11 +7897,11 @@ - + - - - + + + 10294-33-4 InChI=1/BBr3/c2-1(3)4 BBr3 @@ -7917,11 +7917,11 @@ - + - - - + + + 13517-10-7 InChI=1/BI3/c2-1(3)4 BI3 @@ -7933,11 +7933,11 @@ - + - - - + + + 10097-32-2 InChI=1/Br Br @@ -7948,11 +7948,11 @@ - + - - - + + + 3889-77-8 CBr Bromomethylidyne @@ -7960,11 +7960,11 @@ - + - - - + + + 123-72-8 InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 C4H8O @@ -7993,11 +7993,11 @@ - + - - - + + + 102-01-2 InChI=1/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13) C10H11NO2 @@ -8026,11 +8026,11 @@ - + - - - + + + 106-97-8 InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3 C4H10 @@ -8052,11 +8052,11 @@ - + - - - + + + 111-34-2 InChI=1/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3 C6H12O @@ -8081,11 +8081,11 @@ - + - - - + + + 628-29-5 InChI=1/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3 C5H12S @@ -8104,11 +8104,11 @@ - + - - - + + + 109-65-9 InChI=1/C4H9Br/c1-2-3-4-5/h2-4H2,1H3 C4H9Br @@ -8123,11 +8123,11 @@ - + - - - + + + 109-69-3 InChI=1/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3 C4H9Cl @@ -8146,11 +8146,11 @@ - + - - - + + + 628-81-9 InChI=1/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3 C6H14O @@ -8168,11 +8168,11 @@ - + - - - + + + 542-69-8 InChI=1/C4H9I/c1-2-3-4-5/h2-4H2,1H3 C4H9I @@ -8187,11 +8187,11 @@ - + - - - + + + 111-36-4 InChI=1/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3 C5H9NO @@ -8209,11 +8209,11 @@ - + - - - + + + 628-28-4 InChI=1/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3 C5H12O @@ -8231,11 +8231,11 @@ - + - - - + + + 627-05-4 InChI=1/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3 C4H9NO2 @@ -8247,11 +8247,11 @@ - + - - - + + + 598-04-9 InChI=1/C8H18O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3 C8H18O2S @@ -8269,11 +8269,11 @@ - + - - - + + + 616-21-7 InChI=1/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3 C4H8Cl2 @@ -8283,11 +8283,11 @@ - + - - - + + + 78-76-2 InChI=1/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3 C4H9Br @@ -8303,11 +8303,11 @@ - + - - - + + + 78-86-4 InChI=1/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3 C4H9Cl @@ -8321,11 +8321,11 @@ - + - - - + + + 6795-87-5 InChI=1/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3 C5H12O @@ -8337,11 +8337,11 @@ - + - - - + + + 994-05-8 InChI=1/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3 C6H14O @@ -8357,11 +8357,11 @@ - + - - - + + + 78-78-4 InChI=1/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3 C5H12 @@ -8379,11 +8379,11 @@ - + - - - + + + 75-83-2 InChI=1/C6H14/c1-5-6(2,3)4/h5H2,1-4H3 C6H14 @@ -8396,11 +8396,11 @@ - + - - - + + + 464-06-2 InChI=1/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3 C7H16 @@ -8412,11 +8412,11 @@ - + - - - + + + 594-82-1 InChI=1/C8H18/c1-7(2,3)8(4,5)6/h1-6H3 C8H18 @@ -8430,11 +8430,11 @@ - + - - - + + + 7581-97-7 InChI=1/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3 C4H8Cl2 @@ -8444,11 +8444,11 @@ - + - - - + + + 79-29-8 InChI=1/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3 C6H14 @@ -8462,11 +8462,11 @@ - + - - - + + + 110-15-6 InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) C4H6O4 @@ -8492,11 +8492,11 @@ - + - - - + + + 97-65-4 InChI=1/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) C5H6O4 @@ -8512,11 +8512,11 @@ - + - - - + + + 109-74-0 InChI=1/C4H7N/c1-2-3-4-5/h2-3H2,1H3 C4H7N @@ -8537,11 +8537,11 @@ - + - - - + + + 107-92-6 InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) C4H8O2 @@ -8565,11 +8565,11 @@ - + - - - + + + 88-09-5 InChI=1/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) C6H12O2 @@ -8588,11 +8588,11 @@ - + - - - + + + 503-74-2 InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) C5H10O2 @@ -8616,11 +8616,11 @@ - + - - - + + + 659-70-1 InChI=1/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3 C10H20O2 @@ -8640,11 +8640,11 @@ - + - - - + + + 108-64-5 InChI=1/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3 C7H14O2 @@ -8661,11 +8661,11 @@ - + - - - + + + 141-97-9 InChI=1/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3 C6H10O3 @@ -8689,11 +8689,11 @@ - + - - - + + + 105-45-3 InChI=1/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 C5H8O3 @@ -8711,11 +8711,11 @@ - + - - - + + + 106-31-0 InChI=1/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3 C8H14O3 @@ -8734,11 +8734,11 @@ - + - - - + + + 105-54-4 InChI=1/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3 C6H12O2 @@ -8758,11 +8758,11 @@ - + - - - + + + 623-42-7 InChI=1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3 C5H10O2 @@ -8780,11 +8780,11 @@ - + - - - + + + 105-66-8 InChI=1/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3 C7H14O2 @@ -8803,11 +8803,11 @@ - + - - - + + + 109-21-7 InChI=1/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3 C8H16O2 @@ -8828,11 +8828,11 @@ - + - - - + + + 97-88-1 InChI=1/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3 C8H14O2 @@ -8862,11 +8862,11 @@ - + - - - + + + 128-37-0 InChI=1/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 C15H24O @@ -8984,11 +8984,11 @@ - + - - - + + + 75-75-2 InChI=1/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) CH4O3S @@ -9001,11 +9001,11 @@ - + - - - + + + 2468-81-7 InChI=1/CN2/c1-3-2 CN2 @@ -9015,11 +9015,11 @@ - + - - - + + + 7440-43-9 InChI=1/Cd Cd @@ -9032,11 +9032,11 @@ - + - - - + + + 7789-42-6 InChI=1/2BrH.Cd/h2*1H;/q;;+2/p-2 Br2Cd @@ -9048,11 +9048,11 @@ - + - - - + + + 10108-64-2 InChI=1/Cd.2ClH/h;2*1H/q+2;;/p-2 CdCl2 @@ -9070,11 +9070,11 @@ - + - - - + + + 7790-79-6 InChI=1/Cd.2FH/h;2*1H/q+2;;/p-2 CdF2 @@ -9087,11 +9087,11 @@ - + - - - + + + 7790-80-9 InChI=1/Cd.2HI/h;2*1H/q+2;;/p-2 CdI2 @@ -9103,11 +9103,11 @@ - + - - - + + + 1306-19-0 InChI=1/Cd.O CdO @@ -9121,11 +9121,11 @@ - + - - - + + + 58-08-2 InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 C8H10N4O2 @@ -9181,11 +9181,11 @@ - + - - - + + + 12595-85-6 Ca2 Calcium @@ -9193,11 +9193,11 @@ - + - - - + + + 7789-41-5 InChI=1/2BrH.Ca/h2*1H;/q;;+2/p-2 Br2Ca @@ -9210,11 +9210,11 @@ - + - - - + + + 10043-52-4 InChI=1/Ca.2ClH/h;2*1H/q+2;;/p-2 CaCl2 @@ -9250,11 +9250,11 @@ - + - - - + + + 1305-62-0 InChI=1/Ca.2H2O/h;2*1H2/q+2;;/p-2 H2CaO2 @@ -9276,11 +9276,11 @@ - + - - - + + + 10102-68-8 InChI=1/Ca.2HI/h;2*1H/q+2;;/p-2 CaI2 @@ -9292,11 +9292,11 @@ - + - - - + + + 7789-75-5 InChI=1/Ca.2FH/h;2*1H/q+2;;/p-2 CaF2 @@ -9315,11 +9315,11 @@ - + - - - + + + 10024-43-8 BrCa Calcium monobromide @@ -9327,11 +9327,11 @@ - + - - - + + + 15606-71-0 InChI=1/Ca.ClH/h;1H/q+1;/p-1 CaCl @@ -9342,11 +9342,11 @@ - + - - - + + + 13827-26-4 CaF Calcium monofluoride @@ -9354,11 +9354,11 @@ - + - - - + + + 14452-75-6 HCa Calcium monohydride @@ -9366,11 +9366,11 @@ - + - - - + + + 12177-67-2 InChI=1/Ca.H2O/h;1H2/q+1;/p-1 HCaO @@ -9381,11 +9381,11 @@ - + - - - + + + 15923-87-2 CaI Calcium monoiodide @@ -9393,11 +9393,11 @@ - + - - - + + + 1305-78-8 InChI=1/Ca.O CaO @@ -9424,11 +9424,11 @@ - + - - - + + + 20548-54-3 InChI=1/Ca.S CaS @@ -9440,11 +9440,11 @@ - + - - - + + + 7790-75-2 CaO4W Calcium tetraoxotungstate @@ -9452,11 +9452,11 @@ - + - - - + + + 79-92-5 InChI=1/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3 C10H16 @@ -9471,11 +9471,11 @@ - + - - - + + + 76-22-2 InChI=1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 C10H16O @@ -9520,11 +9520,11 @@ - + - - - + + + 86-74-8 InChI=1/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H C12H9N @@ -9542,11 +9542,11 @@ - + - - - + + + 124-38-9 InChI=1/CO2/c2-1-3 CO2 @@ -9571,11 +9571,11 @@ - + - - - + + + 75-15-0 InChI=1/CS2/c2-1-3 CS2 @@ -9609,11 +9609,11 @@ - + - - - + + + 2944-05-0 InChI=1/CS/c1-2 CS @@ -9624,11 +9624,11 @@ - + - - - + + + 630-08-0 InChI=1/CO/c1-2 CO @@ -9654,11 +9654,11 @@ - + - - - + + + 558-13-4 InChI=1/CBr4/c2-1(3,4)5 CBr4 @@ -9675,11 +9675,11 @@ - + - - - + + + 56-23-5 InChI=1/CCl4/c2-1(3,4)5 CCl4 @@ -9729,11 +9729,11 @@ - + - - - + + + 75-73-0 InChI=1/CF4/c2-1(3,4)5 CF4 @@ -9758,11 +9758,11 @@ - + - - - + + + 105-58-8 InChI=1/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3 C5H10O3 @@ -9785,11 +9785,11 @@ - + - - - + + + 616-38-6 InChI=1/C3H6O3/c1-5-3(4)6-2/h1-2H3 C3H6O3 @@ -9804,11 +9804,11 @@ - + - - - + + + 353-50-4 InChI=1/CF2O/c2-1(3)4 CF2O @@ -9832,11 +9832,11 @@ - + - - - + + + 541-41-3 InChI=1/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3 C3H5ClO2 @@ -9863,11 +9863,11 @@ - + - - - + + + 79-22-1 InChI=1/C2H3ClO2/c1-5-2(3)4/h1H3 C2H3ClO2 @@ -9894,11 +9894,11 @@ - + - - - + + + 2602-42-8 InChI=1/CClO/c2-1-3 CClO @@ -9909,11 +9909,11 @@ - + - - - + + + 1871-24-5 InChI=1/CFO/c2-1-3 CFO @@ -9925,11 +9925,11 @@ - + - - - + + + 463-58-1 InChI=1/COS/c2-1-3 COS @@ -9944,11 +9944,11 @@ - + - - - + + + 7440-45-1 InChI=1/Ce Ce @@ -9960,11 +9960,11 @@ - + - - - + + + 12012-32-7 InChI=1/C2.Ce/c1-2; C2Ce @@ -9977,11 +9977,11 @@ - + - - - + + + 1306-38-3 InChI=1/Ce.2O CeO2 @@ -9995,11 +9995,11 @@ - + - - - + + + 25764-08-3 CeN Cerium mononitride @@ -10007,11 +10007,11 @@ - + - - - + + + 12014-82-3 CeS Cerium monosulfide @@ -10019,11 +10019,11 @@ - + - - - + + + 12014-74-3 CeO Cerium monoxide @@ -10031,11 +10031,11 @@ - + - - - + + + 14457-87-5 InChI=1/3BrH.Ce/h3*1H;/q;;;+3/p-3 Br3Ce @@ -10049,11 +10049,11 @@ - + - - - + + + 7790-86-5 InChI=1/Ce.3ClH/h;3*1H/q+3;;;/p-3 CeCl3 @@ -10067,11 +10067,11 @@ - + - - - + + + 7758-88-5 InChI=1/Ce.3FH/h;3*1H/q+3;;;/p-3 CeF3 @@ -10086,11 +10086,11 @@ - + - - - + + + 7790-87-6 InChI=1/Ce.3HI/h;3*1H/q+3;;;/p-3 CeI3 @@ -10102,11 +10102,11 @@ - + - - - + + + 7440-46-2 InChI=1/Cs Cs @@ -10120,11 +10120,11 @@ - + - - - + + + 7787-69-1 InChI=1/BrH.Cs/h1H;/q;+1/p-1 BrCs @@ -10137,11 +10137,11 @@ - + - - - + + + 7647-17-8 InChI=1/ClH.Cs/h1H;/q;+1/p-1 ClCs @@ -10156,11 +10156,11 @@ - + - - - + + + 12285-54-0 InChI=1/2Cs.2F Cs2F2 @@ -10170,11 +10170,11 @@ - + - - - + + + 12182-83-1 InChI=1/2Cs.2HO/h;;2*1H H2Cs2O2 @@ -10184,11 +10184,11 @@ - + - - - + + + 7789-17-5 InChI=1/Cs.HI/h;1H/q+1;/p-1 CsI @@ -10205,11 +10205,11 @@ - + - - - + + + 10294-54-9 InChI=1/2Cs.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2 Cs2O4S @@ -10223,11 +10223,11 @@ - + - - - + + + 7782-50-5 InChI=1/Cl2/c1-2 Cl2 @@ -10245,11 +10245,11 @@ - + - - - + + + 22537-15-1 InChI=1/Cl Cl @@ -10260,11 +10260,11 @@ - + - - - + + + 10049-04-4 InChI=1/ClO2/c2-1-3 ClO2 @@ -10281,11 +10281,11 @@ - + - - - + + + 7790-89-8 InChI=1/ClF/c1-2 ClF @@ -10298,11 +10298,11 @@ - + - - - + + + 7790-91-2 InChI=1/ClF3/c2-1(3)4 ClF3 @@ -10317,11 +10317,11 @@ - + - - - + + + 67-66-3 InChI=1/CHCl3/c2-1(3)4/h1H CHCl3 @@ -10350,11 +10350,11 @@ - + - - - + + + 3889-76-7 CCl Chloromethylidyne @@ -10362,11 +10362,11 @@ - + - - - + + + 7440-47-3 InChI=1/Cr Cr @@ -10378,11 +10378,11 @@ - + - - - + + + 24094-93-7 InChI=1/Cr.N CrN @@ -10395,11 +10395,11 @@ - + - - - + + + 1308-38-9 InChI=1/2Cr.3O Cr2O3 @@ -10461,11 +10461,11 @@ - + - - - + + + 10049-25-9 Br2Cr Chromium bromide @@ -10473,11 +10473,11 @@ - + - - - + + + 12012-35-0 C2Cr3 Chromium carbide @@ -10485,11 +10485,11 @@ - + - - - + + + 10049-05-5 InChI=1/2ClH.Cr/h2*1H;/q;;+2/p-2 Cl2Cr @@ -10505,11 +10505,11 @@ - + - - - + + + 10049-10-2 InChI=1/Cr.2FH/h;2*1H/q+2;;/p-2 CrF2 @@ -10521,11 +10521,11 @@ - + - - - + + + 12018-01-8 InChI=1/Cr.2O CrO2 @@ -10537,11 +10537,11 @@ - + - - - + + + 13007-92-6 InChI=1/6CO.Cr/c6*1-2; C6CrO6 @@ -10556,11 +10556,11 @@ - + - - - + + + 12018-00-7 CrO Chromium monoxide @@ -10568,11 +10568,11 @@ - + - - - + + + 7788-97-8 InChI=1/Cr.3FH/h;3*1H/q+3;;;/p-3 CrF3 @@ -10592,11 +10592,11 @@ - + - - - + + + 1333-82-0 InChI=1/Cr.3O CrO3 @@ -10637,11 +10637,11 @@ - + - - - + + + 14977-61-8 InChI=1/2ClH.Cr.2O/h2*1H;;;/q;;+2;;/p-2 Cl2CrO2 @@ -10668,11 +10668,11 @@ - + - - - + + + 218-01-9 InChI=1/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H C18H12 @@ -10688,11 +10688,11 @@ - + - - - + + + 140-10-3 InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ C9H8O2 @@ -10710,11 +10710,11 @@ - + - - - + + + 7407-59-2 InChI=1/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2- C5H6O4 @@ -10724,11 +10724,11 @@ - + - - - + + + 13966-57-9 ClSi Clorosilylidyne @@ -10736,11 +10736,11 @@ - + - - - + + + 7440-48-4 InChI=1/Co Co @@ -10756,11 +10756,11 @@ - + - - - + + + 7789-43-7 InChI=1/2BrH.Co/h2*1H;/q;;+2/p-2 Br2Co @@ -10775,11 +10775,11 @@ - + - - - + + + 7646-79-9 InChI=1/2ClH.Co/h2*1H;/q;;+2/p-2 Cl2Co @@ -10800,11 +10800,11 @@ - + - - - + + + 10026-17-2 CoF2 Cobalt fluoride @@ -10812,11 +10812,11 @@ - + - - - + + + 34240-80-7 ClCo Cobalt monochloride @@ -10824,11 +10824,11 @@ - + - - - + + + 1307-96-6 InChI=1/Co.O CoO @@ -10851,11 +10851,11 @@ - + - - - + + + 10124-43-3 InChI=1/Co.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 CoO4S @@ -10872,11 +10872,11 @@ - + - - - + + + 7440-50-8 InChI=1/Cu Cu @@ -10891,11 +10891,11 @@ - + - - - + + + 1317-39-1 InChI=1/2Cu.O Cu2O @@ -10946,11 +10946,11 @@ - + - - - + + + 1317-38-0 InChI=1/Cu.O CuO @@ -10975,11 +10975,11 @@ - + - - - + + + 38994-31-9 InChI=1/3Cl.3Cu Cl3Cu3 @@ -10989,11 +10989,11 @@ - + - - - + + + 544-92-3 InChI=1/CN.Cu/c1-2;/q-1;+1 CCuN @@ -11007,11 +11007,11 @@ - + - - - + + + 7789-19-7 InChI=1/Cu.2FH/h;2*1H/q+2;;/p-2 CuF2 @@ -11025,11 +11025,11 @@ - + - - - + + + 20427-59-2 InChI=1/Cu.2H2O/h;2*1H2/q+2;;/p-2 H2CuO2 @@ -11066,11 +11066,11 @@ - + - - - + + + 13478-41-6 InChI=1/Cu.FH/h;1H/q+1;/p-1 CuF @@ -11081,11 +11081,11 @@ - + - - - + + + 123-73-9 InChI=1/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ C4H6O @@ -11115,11 +11115,11 @@ - + - - - + + + 107-93-7 InChI=1/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ C4H6O2 @@ -11143,11 +11143,11 @@ - + - - - + + + 15096-52-3 AlF6Na3 Cryolite @@ -11155,11 +11155,11 @@ - + - - - + + + 7758-98-7 InChI=1/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 CuO4S @@ -11205,11 +11205,11 @@ - + - - - + + + 7758-89-6 InChI=1/ClH.Cu/h1H;/q;+1/p-1 ClCu @@ -11226,11 +11226,11 @@ - + - - - + + + 2074-87-5 InChI=1/CN/c1-2 CN @@ -11241,11 +11241,11 @@ - + - - - + + + 460-19-5 InChI=1/C2N2/c3-1-2-4 C2N2 @@ -11271,11 +11271,11 @@ - + - - - + + + 506-77-4 InChI=1/CClN/c2-1-3 CClN @@ -11302,11 +11302,11 @@ - + - - - + + + 287-23-0 InChI=1/C4H8/c1-2-4-3-1/h1-4H2 C4H8 @@ -11317,11 +11317,11 @@ - + - - - + + + 291-64-5 InChI=1/C7H14/c1-2-4-6-7-5-3-1/h1-7H2 C7H14 @@ -11330,11 +11330,11 @@ - + - - - + + + 12597-32-9 Se7 Cycloheptaselenium @@ -11342,11 +11342,11 @@ - + - - - + + + 628-92-2 InChI=1/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2 C7H12 @@ -11359,11 +11359,11 @@ - + - - - + + + 108-91-8 InChI=1/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2 C6H13N @@ -11383,11 +11383,11 @@ - + - - - + + + 101-83-7 InChI=1/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2 C12H23N @@ -11410,11 +11410,11 @@ - + - - - + + + 100-60-7 InChI=1/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3 C7H15N @@ -11431,11 +11431,11 @@ - + - - - + + + 110-82-7 InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2 C6H12 @@ -11452,11 +11452,11 @@ - + - - - + + + 590-66-9 InChI=1/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3 C8H16 @@ -11467,11 +11467,11 @@ - + - - - + + + 2207-01-4 InChI=1/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+ C8H16 @@ -11486,11 +11486,11 @@ - + - - - + + + 6876-23-9 InChI=1/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1 C8H16 @@ -11506,11 +11506,11 @@ - + - - - + + + 638-04-0 InChI=1/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+ C8H16 @@ -11525,11 +11525,11 @@ - + - - - + + + 2207-03-6 InChI=1/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1 C8H16 @@ -11544,11 +11544,11 @@ - + - - - + + + 1795-26-2 InChI=1/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3/t7-,8-,9- C9H18 @@ -11564,11 +11564,11 @@ - + - - - + + + 624-29-3 InChI=1/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3 C8H16 @@ -11581,11 +11581,11 @@ - + - - - + + + 2207-04-7 InChI=1/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8- C8H16 @@ -11600,11 +11600,11 @@ - + - - - + + + 696-29-7 InChI=1/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3 C9H18 @@ -11617,11 +11617,11 @@ - + - - - + + + 7058-01-7 InChI=1/C10H20/c1-3-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3 C10H20 @@ -11634,11 +11634,11 @@ - + - - - + + + 1678-98-4 InChI=1/C10H20/c1-9(2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3 C10H20 @@ -11650,11 +11650,11 @@ - + - - - + + + 1678-93-9 InChI=1/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3 C10H20 @@ -11667,11 +11667,11 @@ - + - - - + + + 1795-16-0 InChI=1/C16H32/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h16H,2-15H2,1H3 C16H32 @@ -11685,11 +11685,11 @@ - + - - - + + + 355-68-0 InChI=1/C6F12/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12 C6F12 @@ -11701,11 +11701,11 @@ - + - - - + + + 1678-91-7 InChI=1/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3 C8H16 @@ -11715,11 +11715,11 @@ - + - - - + + + 108-87-2 InChI=1/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3 C7H14 @@ -11737,11 +11737,11 @@ - + - - - + + + 1678-92-8 InChI=1/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3 C9H18 @@ -11753,11 +11753,11 @@ - + - - - + + + 1569-69-3 InChI=1/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 C6H12S @@ -11770,11 +11770,11 @@ - + - - - + + + 108-93-0 InChI=1/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 C6H12O @@ -11798,11 +11798,11 @@ - + - - - + + + 590-67-0 InChI=1/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3 C7H14O @@ -11813,11 +11813,11 @@ - + - - - + + + 7443-70-1 InChI=1/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3 C7H14O @@ -11828,11 +11828,11 @@ - + - - - + + + 7443-52-9 InChI=1/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m1/s1 C7H14O @@ -11843,11 +11843,11 @@ - + - - - + + + 7731-28-4 InChI=1/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7+ C7H14O @@ -11858,11 +11858,11 @@ - + - - - + + + 7731-29-5 InChI=1/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7- C7H14O @@ -11873,11 +11873,11 @@ - + - - - + + + 108-94-1 InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2 C6H10O @@ -11902,11 +11902,11 @@ - + - - - + + + 100-64-1 InChI=1/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2 C6H11NO @@ -11917,11 +11917,11 @@ - + - - - + + + 110-83-8 InChI=1/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2 C6H10 @@ -11939,11 +11939,11 @@ - + - - - + + + 586-62-9 InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3 C10H16 @@ -11961,11 +11961,11 @@ - + - - - + + + 100-40-3 InChI=1/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2 C8H12 @@ -11991,11 +11991,11 @@ - + - - - + + + 766-07-4 InChI=1/C6H12O2/c7-8-6-4-2-1-3-5-6/h6-7H,1-5H2 C6H12O2 @@ -12007,11 +12007,11 @@ - + - - - + + + 3173-53-3 InChI=1/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2 C7H11NO @@ -12026,11 +12026,11 @@ - + - - - + + + 292-64-8 InChI=1/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2 C8H16 @@ -12040,11 +12040,11 @@ - + - - - + + + 12597-33-0 InChI=1/Se8/c1-2-4-6-8-7-5-3-1 Se8 @@ -12055,11 +12055,11 @@ - + - - - + + + 931-88-4 InChI=1/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2 C8H14 @@ -12070,11 +12070,11 @@ - + - - - + + + 1003-03-8 InChI=1/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2 C5H11N @@ -12085,11 +12085,11 @@ - + - - - + + + 287-92-3 InChI=1/C5H10/c1-2-4-5-3-1/h1-5H2 C5H10 @@ -12100,11 +12100,11 @@ - + - - - + + + 16747-50-5 InChI=1/C8H16/c1-3-8(2)6-4-5-7-8/h3-7H2,1-2H3 C8H16 @@ -12115,11 +12115,11 @@ - + - - - + + + 1638-26-2 InChI=1/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3 C7H14 @@ -12130,11 +12130,11 @@ - + - - - + + + 4516-69-2 InChI=1/C8H16/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3 C8H16 @@ -12144,11 +12144,11 @@ - + - - - + + + 1192-18-3 InChI=1/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+ C7H14 @@ -12163,11 +12163,11 @@ - + - - - + + + 822-50-4 InChI=1/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1 C7H14 @@ -12182,11 +12182,11 @@ - + - - - + + + 2532-58-3 InChI=1/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7+ C7H14 @@ -12200,11 +12200,11 @@ - + - - - + + + 1759-58-6 InChI=1/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1 C7H14 @@ -12218,11 +12218,11 @@ - + - - - + + + 3875-51-2 InChI=1/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3 C8H16 @@ -12234,11 +12234,11 @@ - + - - - + + + 2040-95-1 InChI=1/C9H18/c1-2-3-6-9-7-4-5-8-9/h9H,2-8H2,1H3 C9H18 @@ -12249,11 +12249,11 @@ - + - - - + + + 1795-21-7 InChI=1/C15H30/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15/h15H,2-14H2,1H3 C15H30 @@ -12266,11 +12266,11 @@ - + - - - + + + 1640-89-7 InChI=1/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3 C7H14 @@ -12280,11 +12280,11 @@ - + - - - + + + 96-37-7 InChI=1/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3 C6H12 @@ -12295,11 +12295,11 @@ - + - - - + + + 2040-96-2 InChI=1/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3 C8H16 @@ -12312,11 +12312,11 @@ - + - - - + + + 1123-00-8 InChI=1/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9) C7H12O2 @@ -12326,11 +12326,11 @@ - + - - - + + + 120-92-3 InChI=1/C5H8O/c6-5-3-1-2-4-5/h1-4H2 C5H8O @@ -12347,11 +12347,11 @@ - + - - - + + + 142-29-0 InChI=1/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2 C5H8 @@ -12361,11 +12361,11 @@ - + - - - + + + 693-89-0 InChI=1/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3 C6H10 @@ -12380,11 +12380,11 @@ - + - - - + + + 1120-62-3 InChI=1/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3 C6H10 @@ -12396,11 +12396,11 @@ - + - - - + + + 1759-81-5 InChI=1/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3 C6H10 @@ -12412,11 +12412,11 @@ - + - - - + + + 75-19-4 InChI=1/C3H6/c1-2-3-1/h1-3H2 C3H6 @@ -12429,11 +12429,11 @@ - + - - - + + + 556-67-2 InChI=1/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3 C8H24O4Si4 @@ -12449,11 +12449,11 @@ - + - - - + + + 89-78-1 InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3 C10H20O @@ -12487,11 +12487,11 @@ - + - - - + + + 541-02-6 InChI=1/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3 C10H30O5Si5 @@ -12507,11 +12507,11 @@ - + - - - + + + 112-31-2 InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3 C10H20O @@ -12535,11 +12535,11 @@ - + - - - + + + 124-18-5 InChI=1/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3 C10H22 @@ -12551,11 +12551,11 @@ - + - - - + + + 111-20-6 InChI=1/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) C10H18O4 @@ -12572,11 +12572,11 @@ - + - - - + + + 1975-78-6 InChI=1/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3 C10H19N @@ -12593,11 +12593,11 @@ - + - - - + + + 334-48-5 InChI=1/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) C10H20O2 @@ -12623,11 +12623,11 @@ - + - - - + + + 110-42-9 InChI=1/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3 C11H22O2 @@ -12645,11 +12645,11 @@ - + - - - + + + 16873-17-9 InChI=1/H/i1+1 D @@ -12660,11 +12660,11 @@ - + - - - + + + 13983-20-5 InChI=1/H2/h1H/i1+1 HD @@ -12676,11 +12676,11 @@ - + - - - + + + 7789-20-0 InChI=1/H2O/h1H2/i/hD2 D2O @@ -12695,11 +12695,11 @@ - + - - - + + + 109-43-3 InChI=1/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3 C18H34O4 @@ -12725,11 +12725,11 @@ - + - - - + + + 111-43-3 InChI=1/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3 C6H14O @@ -12748,11 +12748,11 @@ - + - - - + + + 6863-58-7 InChI=1/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3 C8H18O @@ -12768,11 +12768,11 @@ - + - - - + + + 6163-66-2 InChI=1/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3 C8H18O @@ -12789,11 +12789,11 @@ - + - - - + + + 110-05-4 InChI=1/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3 C8H18O2 @@ -12825,11 +12825,11 @@ - + - - - + + + 103-23-1 InChI=1/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3 C22H42O4 @@ -12890,11 +12890,11 @@ - + - - - + + + 999-21-3 InChI=1/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5- C10H12O4 @@ -12908,11 +12908,11 @@ - + - - - + + + 12252-63-0 InChI=1/2Al.2O Al2O2 @@ -12924,11 +12924,11 @@ - + - - - + + + 18898-34-5 InChI=1/2Al.4BrH.2Br/h;;4*1H;;/q2*+2;;;;;;/p-4 Al2Br6 @@ -12939,11 +12939,11 @@ - + - - - + + + 12004-36-3 InChI=1/2Al.O Al2O @@ -12954,11 +12954,11 @@ - + - - - + + + 7782-40-3 InChI=1/C C @@ -12967,11 +12967,11 @@ - + - - - + + + 12359-48-7 S4Sb2 Diantimony tetrasulfide @@ -12979,11 +12979,11 @@ - + - - - + + + 1315-05-5 Sb2Se3 Diantimony triselenide @@ -12991,11 +12991,11 @@ - + - - - + + + 132-64-9 InChI=1/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H C12H8O @@ -13010,11 +13010,11 @@ - + - - - + + + 132-65-0 InChI=1/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H C12H8S @@ -13029,11 +13029,11 @@ - + - - - + + + 12232-29-0 Be2Cl4 Diberyllium tetrachloride @@ -13041,11 +13041,11 @@ - + - - - + + + 19287-45-7 InChI=1/B2H6/c1-3-2-4-1/h1-2H2 H6B2 @@ -13061,11 +13061,11 @@ - + - - - + + + 1303-86-2 InChI=1/B2O3/c3-1-5-2-4 B2O3 @@ -13086,11 +13086,11 @@ - + - - - + + + 84-74-2 InChI=1/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 C16H22O4 @@ -13131,11 +13131,11 @@ - + - - - + + + 12258-95-6 InChI=1/2Cl.2Cs Cl2Cs2 @@ -13146,11 +13146,11 @@ - + - - - + + + 20281-00-9 InChI=1/2Cs.O Cs2O @@ -13164,11 +13164,11 @@ - + - - - + + + 7791-21-1 InChI=1/Cl2O/c1-3-2 Cl2O @@ -13187,11 +13187,11 @@ - + - - - + + + 79-02-7 InChI=1/C2H2Cl2O/c3-2(4)1-5/h1-2H C2H2Cl2O @@ -13207,11 +13207,11 @@ - + - - - + + + 13842-52-9 InChI=1/BCl2/c2-1-3 BCl2 @@ -13222,11 +13222,11 @@ - + - - - + + + 75-71-8 InChI=1/CCl2F2/c2-1(3,4)5 CCl2F2 @@ -13273,11 +13273,11 @@ - + - - - + + + 1605-72-7 InChI=1/CCl2/c2-1-3 CCl2 @@ -13288,11 +13288,11 @@ - + - - - + + + 124-70-9 InChI=1/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3 C3H6Cl2Si @@ -13307,11 +13307,11 @@ - + - - - + + + 4109-96-0 InChI=1/Cl2H2Si/c1-3-2/h3H2 H2Cl2Si @@ -13323,11 +13323,11 @@ - + - - - + + + 461-58-5 InChI=1/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6) C2H4N4 @@ -13347,11 +13347,11 @@ - + - - - + + + 111-42-2 InChI=1/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 C4H11NO2 @@ -13383,11 +13383,11 @@ - + - - - + + + 462-95-3 InChI=1/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3 C5H12O2 @@ -13405,11 +13405,11 @@ - + - - - + + + 84-66-2 InChI=1/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3 C12H14O4 @@ -13445,11 +13445,11 @@ - + - - - + + + 123-25-1 InChI=1/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3 C8H14O4 @@ -13465,11 +13465,11 @@ - + - - - + + + 352-93-2 InChI=1/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3 C4H10S @@ -13493,11 +13493,11 @@ - + - - - + + + 7783-41-7 InChI=1/F2O/c1-3-2 F2O @@ -13515,11 +13515,11 @@ - + - - - + + + 13842-55-2 InChI=1/BF2/c2-1-3 BF2 @@ -13531,11 +13531,11 @@ - + - - - + + + 2154-59-8 InChI=1/CF2/c2-1-3 CF2 @@ -13545,11 +13545,11 @@ - + - - - + + + 15654-66-7 InChI=1/4ClH.2Cl.2Ga/h4*1H;;;;/q;;;;;;2*+2/p-4 Cl6Ga2 @@ -13559,11 +13559,11 @@ - + - - - + + + 12024-20-3 Ga2O Digallium monoxide @@ -13571,11 +13571,11 @@ - + - - - + + + 12259-25-5 InChI=1/2Ga.S Ga2S @@ -13584,11 +13584,11 @@ - + - - - + + + 110-99-6 InChI=1/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) C4H6O5 @@ -13609,11 +13609,11 @@ - + - - - + + + 13465-07-1 InChI=1/H2S2/c1-2/h1-2H H2S2 @@ -13624,11 +13624,11 @@ - + - - - + + + 18015-86-6 InChI=1/BHI2/c2-1-3/h1H BI2 @@ -13638,11 +13638,11 @@ - + - - - + + + 66468-24-4 Br4Fe2 Diiron tetrabromide @@ -13650,11 +13650,11 @@ - + - - - + + + 92785-63-2 InChI=1/2Fe.2HI.2I/h;;2*1H;;/q2*+1;;;;/p-2 Fe2I4 @@ -13665,11 +13665,11 @@ - + - - - + + + 26761-40-0 InChI=1/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3 C28H46O4 @@ -13691,11 +13691,11 @@ - + - - - + + + 131-20-4 InChI=1/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3 C24H38O4 @@ -13704,11 +13704,11 @@ - + - - - + + + 110-97-4 InChI=1/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3 C6H15NO2 @@ -13733,11 +13733,11 @@ - + - - - + + + 108-20-3 InChI=1/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3 C6H14O @@ -13759,11 +13759,11 @@ - + - - - + + + 12596-92-8 Pb2 Dilead @@ -13771,11 +13771,11 @@ - + - - - + + + 12380-84-6 InChI=1/2Br.2Li Br2Li2 @@ -13787,11 +13787,11 @@ - + - - - + + + 12345-57-2 InChI=1/2Cl.2Li Cl2Li2 @@ -13803,11 +13803,11 @@ - + - - - + + + 37279-36-0 InChI=1/2I.2Li I2Li2 @@ -13819,11 +13819,11 @@ - + - - - + + + 12057-24-8 InChI=1/2Li.O Li2O @@ -13835,11 +13835,11 @@ - + - - - + + + 58749-16-9 Br4Mg2 Dimagnesium tetrabromide @@ -13847,11 +13847,11 @@ - + - - - + + + 56450-89-6 InChI=1/2FH.2F.2Mg/h2*1H;;;;/q;;;;2*+1/p-2 F4Mg2 @@ -13860,11 +13860,11 @@ - + - - - + + + 115-10-6 InChI=1/C2H6O/c1-3-2/h1-2H3 C2H6O @@ -13885,11 +13885,11 @@ - + - - - + + + 75-18-3 InChI=1/C2H6S/c1-3-2/h1-2H3 C2H6S @@ -13919,11 +13919,11 @@ - + - - - + + + 67-68-5 InChI=1/C2H6OS/c1-4(2)3/h1-2H3 C2H6OS @@ -13975,11 +13975,11 @@ - + - - - + + + 1184-58-3 InChI=1/2CH3.Al.ClH/h2*1H3;;1H/q;;+1;/p-1 C2H6AlCl @@ -13989,11 +13989,11 @@ - + - - - + + + 1313-96-8 InChI=1/2Nb.5O Nb2O5 @@ -14008,11 +14008,11 @@ - + - - - + + + 10102-03-1 InChI=1/N2O5/c3-1(4)7-2(5)6 N2O5 @@ -14025,11 +14025,11 @@ - + - - - + + + 10544-72-6 InChI=1/N2O4/c3-1(4)2(5)6 N2O4 @@ -14047,11 +14047,11 @@ - + - - - + + + 10544-73-7 InChI=1/N2O3/c3-1-2(4)5 N2O3 @@ -14064,11 +14064,11 @@ - + - - - + + + 101-84-8 InChI=1/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H C12H10O @@ -14091,11 +14091,11 @@ - + - - - + + + 122-39-4 InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H C12H11N @@ -14128,11 +14128,11 @@ - + - - - + + + 80-10-4 InChI=1/C12H10Cl2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H C12H10Cl2Si @@ -14147,11 +14147,11 @@ - + - - - + + + 501-65-5 InChI=1/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H C14H10 @@ -14170,11 +14170,11 @@ - + - - - + + + 101-81-5 InChI=1/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2 C13H12 @@ -14192,11 +14192,11 @@ - + - - - + + + 25681-80-5 InChI=1/2K K2 @@ -14207,11 +14207,11 @@ - + - - - + + + 584-08-7 InChI=1/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2 CK2O3 @@ -14235,11 +14235,11 @@ - + - - - + + + 12258-97-8 InChI=1/2Cl.2K Cl2K2 @@ -14250,11 +14250,11 @@ - + - - - + + + 12285-62-0 InChI=1/2F.2K F2K2 @@ -14266,11 +14266,11 @@ - + - - - + + + 12285-99-3 InChI=1/2HI.2K/h2*1H;;/q;;2*+1/p-2 I2K2 @@ -14281,11 +14281,11 @@ - + - - - + + + 12136-45-7 InChI=1/2K.O K2O @@ -14298,11 +14298,11 @@ - + - - - + + + 106-62-7 InChI=1/C6H14O3/c1-5(8)4-9-6(2)3-7/h5-8H,3-4H2,1-2H3 C6H14O3 @@ -14315,11 +14315,11 @@ - + - - - + + + 1314-68-7 InChI=1/7O.2Re O7Re2 @@ -14333,11 +14333,11 @@ - + - - - + + + 25681-81-6 InChI=1/2Rb Rb2 @@ -14348,11 +14348,11 @@ - + - - - + + + 12265-61-1 InChI=1/2Cl.2Rb Cl2Rb2 @@ -14363,11 +14363,11 @@ - + - - - + + + 18088-11-4 InChI=1/O.2Rb ORb2 @@ -14380,11 +14380,11 @@ - + - - - + + + 10025-68-0 InChI=1/Cl2Se2/c1-3-4-2 Cl2Se2 @@ -14398,11 +14398,11 @@ - + - - - + + + 1590-87-0 InChI=1/H6Si2/c1-2/h1-2H3 H6Si2 @@ -14413,11 +14413,11 @@ - + - - - + + + 107-46-0 InChI=1/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3 C6H18OSi2 @@ -14440,11 +14440,11 @@ - + - - - + + + 25681-79-2 InChI=1/2Na Na2 @@ -14456,11 +14456,11 @@ - + - - - + + + 12258-98-9 InChI=1/2Cl.2Na Cl2Na2 @@ -14472,11 +14472,11 @@ - + - - - + + + 12285-64-2 InChI=1/2F.2Na F2Na2 @@ -14488,11 +14488,11 @@ - + - - - + + + 1313-59-3 InChI=1/2Na.O Na2O @@ -14504,11 +14504,11 @@ - + - - - + + + 110-81-6 InChI=1/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3 C4H10S2 @@ -14525,11 +14525,11 @@ - + - - - + + + 624-92-0 InChI=1/C2H6S2/c1-3-4-2/h1-2H3 C2H6S2 @@ -14549,11 +14549,11 @@ - + - - - + + + 629-19-6 InChI=1/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3 C6H14S2 @@ -14570,11 +14570,11 @@ - + - - - + + + 13172-31-1 InChI=1/Br2S2/c1-3-4-2 Br2S2 @@ -14585,11 +14585,11 @@ - + - - - + + + 10025-67-9 InChI=1/Cl2S2/c1-3-4-2 Cl2S2 @@ -14612,11 +14612,11 @@ - + - - - + + + 20901-21-7 InChI=1/OS2/c1-3-2 OS2 @@ -14628,11 +14628,11 @@ - + - - - + + + 10028-16-7 InChI=1/Te2/c1-2 Te2 @@ -14642,11 +14642,11 @@ - + - - - + + + 31970-97-5 InChI=1/2F.2Tl F2Tl2 @@ -14655,11 +14655,11 @@ - + - - - + + + 1314-12-1 InChI=1/O.2Tl OTl2 @@ -14672,11 +14672,11 @@ - + - - - + + + 7446-18-6 InChI=1/H2O4S.2Tl/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;2*+1/p-2 O4STl2 @@ -14700,11 +14700,11 @@ - + - - - + + + 1344-54-3 InChI=1/3O.2Ti O3Ti2 @@ -14718,11 +14718,11 @@ - + - - - + + + 12165-16-1 InChI=1/6O.2W O6W2 @@ -14734,11 +14734,11 @@ - + - - - + + + 540-97-6 InChI=1/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3 C12H36O6Si6 @@ -14749,11 +14749,11 @@ - + - - - + + + 141-63-9 InChI=1/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3 C12H36O4Si5 @@ -14764,11 +14764,11 @@ - + - - - + + + 112-54-9 InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3 C12H24O @@ -14793,11 +14793,11 @@ - + - - - + + + 143-07-7 InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) C12H24O2 @@ -14834,11 +14834,11 @@ - + - - - + + + 111-82-0 InChI=1/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3 C13H26O2 @@ -14856,11 +14856,11 @@ - + - - - + + + 544-85-4 InChI=1/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3 C32H66 @@ -14871,11 +14871,11 @@ - + - - - + + + 7429-91-6 InChI=1/Dy Dy @@ -14885,11 +14885,11 @@ - + - - - + + + 10025-74-8 InChI=1/3ClH.Dy/h3*1H;/q;;;+3/p-3 Cl3Dy @@ -14902,11 +14902,11 @@ - + - - - + + + 13569-80-7 DyF3 Dysprosium trifluoride @@ -14914,11 +14914,11 @@ - + - - - + + + 15474-63-2 InChI=1/Dy.3HI/h;3*1H/q+3;;;/p-3 DyI3 @@ -14930,11 +14930,11 @@ - + - - - + + + 112-95-8 InChI=1/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3 C20H42 @@ -14945,11 +14945,11 @@ - + - - - + + + 7440-52-0 InChI=1/Er Er @@ -14959,11 +14959,11 @@ - + - - - + + + 10138-41-7 InChI=1/3ClH.Er/h3*1H;/q;;;+3/p-3 Cl3Er @@ -14975,11 +14975,11 @@ - + - - - + + + 13760-83-3 ErF3 Erbium trifluoride @@ -14987,11 +14987,11 @@ - + - - - + + + 13813-42-8 InChI=1/Er.3HI/h;3*1H/q+3;;;/p-3 ErI3 @@ -15003,11 +15003,11 @@ - + - - - + + + 109-89-7 InChI=1/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3 C4H11N @@ -15027,11 +15027,11 @@ - + - - - + + + 3710-84-7 InChI=1/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3 C4H11NO @@ -15049,11 +15049,11 @@ - + - - - + + + 74-84-0 InChI=1/C2H6/c1-2/h1-2H3 C2H6 @@ -15069,11 +15069,11 @@ - + - - - + + + 75-68-3 InChI=1/C2H3ClF2/c1-2(3,4)5/h1H3 C2H3ClF2 @@ -15102,11 +15102,11 @@ - + - - - + + + 557-91-5 InChI=1/C2H4Br2/c1-2(3)4/h2H,1H3 C2H4Br2 @@ -15119,11 +15119,11 @@ - + - - - + + + 75-34-3 InChI=1/C2H4Cl2/c1-2(3)4/h2H,1H3 C2H4Cl2 @@ -15148,11 +15148,11 @@ - + - - - + + + 105-57-7 InChI=1/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3 C6H14O2 @@ -15200,11 +15200,11 @@ - + - - - + + + 75-37-6 InChI=1/C2H4F2/c1-2(3)4/h2H,1H3 C2H4F2 @@ -15229,11 +15229,11 @@ - + - - - + + + 112-36-7 InChI=1/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3 C8H18O3 @@ -15259,11 +15259,11 @@ - + - - - + + + 71-55-6 InChI=1/C2H3Cl3/c1-2(3,4)5/h1H3 C2H3Cl3 @@ -15317,11 +15317,11 @@ - + - - - + + + 354-58-5 InChI=1/C2Cl3F3/c3-1(4,5)2(6,7)8 C2Cl3F3 @@ -15345,11 +15345,11 @@ - + - - - + + + 420-46-2 InChI=1/C2H3F3/c1-2(3,4)5/h1H3 C2H3F3 @@ -15366,11 +15366,11 @@ - + - - - + + + 630-20-6 InChI=1/C2H2Cl4/c3-1-2(4,5)6/h1H2 C2H2Cl4 @@ -15383,11 +15383,11 @@ - + - - - + + + 811-97-2 InChI=1/C2H2F4/c3-1-2(4,5)6/h1H2 C2H2F4 @@ -15403,11 +15403,11 @@ - + - - - + + + 79-00-5 InChI=1/C2H3Cl3/c3-1-2(4)5/h2H,1H2 C2H3Cl3 @@ -15429,11 +15429,11 @@ - + - - - + + + 79-34-5 InChI=1/C2H2Cl4/c3-1(4)2(5)6/h1-2H C2H2Cl4 @@ -15466,11 +15466,11 @@ - + - - - + + + 359-35-3 InChI=1/C2H2F4/c3-1(4)2(5)6/h1-2H C2H2F4 @@ -15483,11 +15483,11 @@ - + - - - + + + 106-93-4 InChI=1/C2H4Br2/c3-1-2-4/h1-2H2 C2H4Br2 @@ -15548,11 +15548,11 @@ - + - - - + + + 124-73-2 InChI=1/C2Br2F4/c3-1(5,6)2(4,7)8 C2Br2F4 @@ -15577,11 +15577,11 @@ - + - - - + + + 107-06-2 InChI=1/C2H4Cl2/c3-1-2-4/h1-2H2 C2H4Cl2 @@ -15625,11 +15625,11 @@ - + - - - + + + 629-14-1 InChI=1/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3 C6H14O2 @@ -15646,11 +15646,11 @@ - + - - - + + + 110-71-4 InChI=1/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3 C4H10O2 @@ -15678,11 +15678,11 @@ - + - - - + + + 75-88-7 InChI=1/C2H2ClF3/c3-1-2(4,5)6/h1H2 C2H2ClF3 @@ -15704,11 +15704,11 @@ - + - - - + + + 624-89-5 InChI=1/C3H8S/c1-3-4-2/h3H2,1-2H3 C3H8S @@ -15725,11 +15725,11 @@ - + - - - + + + 74-96-4 InChI=1/C2H5Br/c1-2-3/h2H2,1H3 C2H5Br @@ -15750,11 +15750,11 @@ - + - - - + + + 76-15-3 InChI=1/C2ClF5/c3-1(4,5)2(6,7)8 C2ClF5 @@ -15778,11 +15778,11 @@ - + - - - + + + 353-36-6 InChI=1/C2H5F/c1-2-3/h2H2,1H3 C2H5F @@ -15801,11 +15801,11 @@ - + - - - + + + 67-72-1 InChI=1/C2Cl6/c3-1(4,5)2(6,7)8 C2Cl6 @@ -15837,11 +15837,11 @@ - + - - - + + + 76-16-4 InChI=1/C2F6/c3-1(4,5)2(6,7)8 C2F6 @@ -15860,11 +15860,11 @@ - + - - - + + + 540-67-0 InChI=1/C3H8O/c1-3-4-2/h3H2,1-2H3 C3H8O @@ -15881,11 +15881,11 @@ - + - - - + + + 79-24-3 InChI=1/C2H5NO2/c1-2-3(4)5/h2H2,1H3 C2H5NO2 @@ -15901,11 +15901,11 @@ - + - - - + + + 76-01-7 InChI=1/C2HCl5/c3-1(4)2(5,6)7/h1H C2HCl5 @@ -15927,11 +15927,11 @@ - + - - - + + + 107-22-2 InChI=1/C2H2O2/c3-1-2-4/h1-2H C2H2O2 @@ -15957,11 +15957,11 @@ - + - - - + + + 95-92-1 InChI=1/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3 C6H10O4 @@ -15980,11 +15980,11 @@ - + - - - + + + 553-90-2 InChI=1/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3 C4H6O4 @@ -15998,11 +15998,11 @@ - + - - - + + + 79-21-0 InChI=1/C2H4O3/c1-2(3)5-4/h4H,1H3 C2H4O3 @@ -16032,11 +16032,11 @@ - + - - - + + + 594-44-5 InChI=1/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3 C2H5ClO2S @@ -16050,11 +16050,11 @@ - + - - - + + + 75-08-1 InChI=1/C2H6S/c1-2-3/h3H,2H2,1H3 C2H6S @@ -16081,11 +16081,11 @@ - + - - - + + + 64-17-5 InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3 C2H6O @@ -16161,11 +16161,11 @@ - + - - - + + + 75-65-0 InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H3 C4H10O @@ -16196,11 +16196,11 @@ - + - - - + + + 929-06-6 InChI=1/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2 C4H11NO2 @@ -16224,11 +16224,11 @@ - + - - - + + + 124-17-4 InChI=1/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3 C10H20O4 @@ -16257,11 +16257,11 @@ - + - - - + + + 111-90-0 InChI=1/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3 C6H14O3 @@ -16318,11 +16318,11 @@ - + - - - + + + 112-15-2 InChI=1/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3 C8H16O4 @@ -16344,11 +16344,11 @@ - + - - - + + + 111-77-3 InChI=1/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3 C5H12O3 @@ -16377,11 +16377,11 @@ - + - - - + + + 100-37-8 InChI=1/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3 C6H15NO @@ -16417,11 +16417,11 @@ - + - - - + + + 108-01-0 InChI=1/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3 C4H11NO @@ -16473,11 +16473,11 @@ - + - - - + + + 110-77-0 InChI=1/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3 C4H10OS @@ -16496,11 +16496,11 @@ - + - - - + + + 112-25-4 InChI=1/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3 C8H18O2 @@ -16518,11 +16518,11 @@ - + - - - + + + 109-83-1 InChI=1/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3 C3H9NO @@ -16567,11 +16567,11 @@ - + - - - + + + 143-22-6 InChI=1/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3 C10H22O4 @@ -16592,11 +16592,11 @@ - + - - - + + + 112-50-5 InChI=1/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3 C8H18O4 @@ -16616,11 +16616,11 @@ - + - - - + + + 111-41-1 InChI=1/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2 C4H12N2O @@ -16650,11 +16650,11 @@ - + - - - + + + 107-07-3 InChI=1/C2H5ClO/c3-1-2-4/h4H,1-2H2 C2H5ClO @@ -16693,11 +16693,11 @@ - + - - - + + + 110-80-5 InChI=1/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3 C4H10O2 @@ -16737,11 +16737,11 @@ - + - - - + + + 60-24-2 InChI=1/C2H6OS/c3-1-2-4/h3-4H,1-2H2 C2H6OS @@ -16777,11 +16777,11 @@ - + - - - + + + 109-86-4 InChI=1/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3 C3H8O2 @@ -16829,11 +16829,11 @@ - + - - - + + + 112-60-7 InChI=1/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2 C8H18O5 @@ -16851,11 +16851,11 @@ - + - - - + + + 111-46-6 InChI=1/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2 C4H10O3 @@ -16898,11 +16898,11 @@ - + - - - + + + 141-43-5 InChI=1/C2H7NO/c3-1-2-4/h4H,1-3H2 C2H7NO @@ -16942,11 +16942,11 @@ - + - - - + + + 118-93-4 InChI=1/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3 C8H8O2 @@ -16966,11 +16966,11 @@ - + - - - + + + 498-02-2 InChI=1/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3 C9H10O3 @@ -16999,11 +16999,11 @@ - + - - - + + + 75-35-4 InChI=1/C2H2Cl2/c1-2(3)4/h1H2 C2H2Cl2 @@ -17025,11 +17025,11 @@ - + - - - + + + 75-38-7 InChI=1/C2H2F2/c1-2(3)4/h1H2 C2H2F2 @@ -17049,11 +17049,11 @@ - + - - - + + + 156-60-5 InChI=1/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+ C2H2Cl2 @@ -17077,11 +17077,11 @@ - + - - - + + + 156-59-2 InChI=1/C2H2Cl2/c3-1-2-4/h1-2H/b2-1- C2H2Cl2 @@ -17103,11 +17103,11 @@ - + - - - + + + 359-10-4 InChI=1/C2HClF2/c3-1-2(4)5/h1H C2HClF2 @@ -17124,11 +17124,11 @@ - + - - - + + + 593-60-2 InChI=1/C2H3Br/c1-2-3/h2H,1H2 C2H3Br @@ -17148,11 +17148,11 @@ - + - - - + + + 598-73-2 InChI=1/C2BrF3/c3-1(4)2(5)6 C2BrF3 @@ -17168,11 +17168,11 @@ - + - - - + + + 75-01-4 InChI=1/C2H3Cl/c1-2-3/h2H,1H2 C2H3Cl @@ -17206,11 +17206,11 @@ - + - - - + + + 79-38-9 InChI=1/C2ClF3/c3-1(4)2(5)6 C2ClF3 @@ -17240,11 +17240,11 @@ - + - - - + + + 109-92-2 InChI=1/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3 C4H8O @@ -17267,11 +17267,11 @@ - + - - - + + + 75-02-5 InChI=1/C2H3F/c1-2-3/h2H,1H2 C2H3F @@ -17289,11 +17289,11 @@ - + - - - + + + 107-25-5 InChI=1/C3H6O/c1-3-4-2/h3H,1H2,2H3 C3H6O @@ -17310,11 +17310,11 @@ - + - - - + + + 116-14-3 InChI=1/C2F4/c3-1(4)2(5)6 C2F4 @@ -17337,11 +17337,11 @@ - + - - - + + + 60-29-7 InChI=1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 C4H10O @@ -17379,11 +17379,11 @@ - + - - - + + + 141-78-6 InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3 C4H8O2 @@ -17414,11 +17414,11 @@ - + - - - + + + 75-00-3 InChI=1/C2H5Cl/c1-2-3/h2H2,1H3 C2H5Cl @@ -17462,11 +17462,11 @@ - + - - - + + + 105-39-5 InChI=1/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3 C4H7ClO2 @@ -17485,11 +17485,11 @@ - + - - - + + + 75-04-7 InChI=1/C2H7N/c1-2-3/h2-3H2,1H3 C2H7N @@ -17508,11 +17508,11 @@ - + - - - + + + 100-41-4 InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 C8H10 @@ -17532,11 +17532,11 @@ - + - - - + + + 74-85-1 InChI=1/C2H4/c1-2/h1-2H2 C2H4 @@ -17555,11 +17555,11 @@ - + - - - + + + 96-49-1 InChI=1/C3H4O3/c4-3-5-1-2-6-3/h1-2H2 C3H4O3 @@ -17581,11 +17581,11 @@ - + - - - + + + 2274-11-5 InChI=1/C8H10O4/c1-3-7(9)11-5-6-12-8(10)4-2/h3-4H,1-2,5-6H2 C8H10O4 @@ -17601,11 +17601,11 @@ - + - - - + + + 75-21-8 InChI=1/C2H4O/c1-2-3-1/h1-2H2 C2H4O @@ -17649,11 +17649,11 @@ - + - - - + + + 107-15-3 InChI=1/C2H8N2/c3-1-2-4/h1-4H2 C2H8N2 @@ -17679,11 +17679,11 @@ - + - - - + + + 151-56-4 InChI=1/C2H5N/c1-2-3-1/h3H,1-2H2 C2H5N @@ -17714,11 +17714,11 @@ - + - - - + + + 115-21-9 InChI=1/C2H5Cl3Si/c1-2-6(3,4)5/h2H2,1H3 C2H5Cl3Si @@ -17736,11 +17736,11 @@ - + - - - + + + 7440-53-1 InChI=1/Eu Eu @@ -17750,11 +17750,11 @@ - + - - - + + + 13780-48-8 Br2Eu Europium dibromide @@ -17762,11 +17762,11 @@ - + - - - + + + 12020-65-4 EuS Europium monosulfide @@ -17774,11 +17774,11 @@ - + - - - + + + 10025-76-0 Cl3Eu Europium trichloride @@ -17786,11 +17786,11 @@ - + - - - + + + 13765-25-8 InChI=1/Eu.3FH/h;3*1H/q+3;;;/p-3 EuF3 @@ -17803,11 +17803,11 @@ - + - - - + + + 354-33-6 InChI=1/C2HF5/c3-1(4)2(5,6)7/h1H C2HF5 @@ -17822,11 +17822,11 @@ - + - - - + + + 7705-08-0 InChI=1/3ClH.Fe/h3*1H;/q;;;+3/p-3 Cl3Fe @@ -17850,11 +17850,11 @@ - + - - - + + + 10028-22-5 InChI=1/2Fe.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6 Fe2O12S3 @@ -17892,11 +17892,11 @@ - + - - - + + + 7789-28-8 InChI=1/2FH.Fe/h2*1H;/q;;+2/p-2 F2Fe @@ -17908,11 +17908,11 @@ - + - - - + + + 7720-78-7 InChI=1/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 FeO4S @@ -17967,11 +17967,11 @@ - + - - - + + + 206-44-0 InChI=1/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H C16H10 @@ -17992,11 +17992,11 @@ - + - - - + + + 86-73-7 InChI=1/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2 C13H10 @@ -18012,11 +18012,11 @@ - + - - - + + + 7782-41-4 InChI=1/F2/c1-2 F2 @@ -18035,11 +18035,11 @@ - + - - - + + + 14762-94-8 InChI=1/F F @@ -18050,11 +18050,11 @@ - + - - - + + + 3889-75-6 InChI=1/CF/c1-2 CF @@ -18064,11 +18064,11 @@ - + - - - + + + 7789-21-1 InChI=1/FHO3S/c1-5(2,3)4/h(H,2,3,4) HFO3S @@ -18082,11 +18082,11 @@ - + - - - + + + 50-00-0 InChI=1/CH2O/c1-2/h1H2 CH2O @@ -18144,11 +18144,11 @@ - + - - - + + + 75-12-7 InChI=1/CH3NO/c2-1-3/h1H,(H2,2,3) CH3NO @@ -18162,11 +18162,11 @@ - + - - - + + + 2425-74-3 InChI=1/C5H11NO/c1-5(2,3)6-4-7/h4H,1-3H3,(H,6,7) C5H11NO @@ -18178,11 +18178,11 @@ - + - - - + + + 123-39-7 InChI=1/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4) C2H5NO @@ -18199,11 +18199,11 @@ - + - - - + + + 68-12-2 InChI=1/C3H7NO/c1-4(2)3-5/h3H,1-2H3 C3H7NO @@ -18232,11 +18232,11 @@ - + - - - + + + 64-18-6 InChI=1/CH2O2/c2-1-3/h1H,(H,2,3) CH2O2 @@ -18267,11 +18267,11 @@ - + - - - + + + 762-75-4 InChI=1/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3 C5H10O2 @@ -18282,11 +18282,11 @@ - + - - - + + + 592-84-7 InChI=1/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3 C5H10O2 @@ -18302,11 +18302,11 @@ - + - - - + + + 4351-54-6 InChI=1/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2 C7H12O2 @@ -18318,11 +18318,11 @@ - + - - - + + + 692-45-5 InChI=1/C3H4O2/c1-2-5-3-4/h2-3H,1H2 C3H4O2 @@ -18335,11 +18335,11 @@ - + - - - + + + 109-94-4 InChI=1/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3 C3H6O2 @@ -18364,11 +18364,11 @@ - + - - - + + + 112-23-2 InChI=1/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3 C8H16O2 @@ -18382,11 +18382,11 @@ - + - - - + + + 629-33-4 InChI=1/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3 C7H14O2 @@ -18398,11 +18398,11 @@ - + - - - + + + 112-32-3 InChI=1/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3 C9H18O2 @@ -18415,11 +18415,11 @@ - + - - - + + + 638-49-3 InChI=1/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3 C6H12O2 @@ -18435,11 +18435,11 @@ - + - - - + + + 104-57-4 InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2 C8H8O2 @@ -18453,11 +18453,11 @@ - + - - - + + + 110-74-7 InChI=1/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3 C4H8O2 @@ -18474,11 +18474,11 @@ - + - - - + + + 2597-44-6 InChI=1/CHO/c1-2/h1H CHO @@ -18489,11 +18489,11 @@ - + - - - + + + 110-17-8 InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ C4H4O4 @@ -18519,11 +18519,11 @@ - + - - - + + + 764-42-1 InChI=1/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+ C4H2N2 @@ -18541,11 +18541,11 @@ - + - - - + + + 110-00-9 InChI=1/C4H4O/c1-2-4-5-3-1/h1-4H C4H4O @@ -18565,11 +18565,11 @@ - + - - - + + + 1191-99-7 InChI=1/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2 C4H6O @@ -18580,11 +18580,11 @@ - + - - - + + + 1708-29-8 InChI=1/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2 C4H6O @@ -18596,11 +18596,11 @@ - + - - - + + + 109-99-9 InChI=1/C4H8O/c1-2-4-5-3-1/h1-4H2 C4H8O @@ -18629,11 +18629,11 @@ - + - - - + + + 128579-09-9 Cl2Ga GaCl2 @@ -18641,11 +18641,11 @@ - + - - - + + + 7440-54-2 InChI=1/Gd Gd @@ -18655,11 +18655,11 @@ - + - - - + + + 10138-52-0 InChI=1/3ClH.Gd/h3*1H;/q;;;+3/p-3 Cl3Gd @@ -18671,11 +18671,11 @@ - + - - - + + + 13765-26-9 F3Gd Gadolinium trifluoride @@ -18683,11 +18683,11 @@ - + - - - + + + 13572-98-0 InChI=1/Gd.3HI/h;3*1H/q+3;;;/p-3 GdI3 @@ -18699,11 +18699,11 @@ - + - - - + + + 7440-55-3 InChI=1/Ga Ga @@ -18715,11 +18715,11 @@ - + - - - + + + 51777-79-8 F2Ga Gallium difluoride @@ -18727,11 +18727,11 @@ - + - - - + + + 17108-85-9 ClGa Gallium monochloride @@ -18739,11 +18739,11 @@ - + - - - + + + 13966-78-4 FGa Gallium monofluoride @@ -18751,11 +18751,11 @@ - + - - - + + + 12024-14-5 GaTe Gallium monotelluride @@ -18763,11 +18763,11 @@ - + - - - + + + 12024-08-7 GaO Gallium monoxide @@ -18775,11 +18775,11 @@ - + - - - + + + 13450-88-9 InChI=1/3BrH.Ga/h3*1H;/q;;;+3/p-3 Br3Ga @@ -18792,11 +18792,11 @@ - + - - - + + + 13450-90-3 InChI=1/3ClH.Ga/h3*1H;/q;;;+3/p-3 Cl3Ga @@ -18811,11 +18811,11 @@ - + - - - + + + 7783-51-9 InChI=1/3FH.Ga/h3*1H;/q;;;+3/p-3 F3Ga @@ -18828,11 +18828,11 @@ - + - - - + + + 13450-91-4 InChI=1/Ga.3HI/h;3*1H/q+3;;;/p-3 GaI3 @@ -18845,11 +18845,11 @@ - + - - - + + + 13569-55-6 Cl3Ge GeCl3 @@ -18857,11 +18857,11 @@ - + - - - + + + 7782-65-2 InChI=1/GeH4/h1H4 H4Ge @@ -18875,11 +18875,11 @@ - + - - - + + + 7440-56-4 InChI=1/Ge Ge @@ -18889,11 +18889,11 @@ - + - - - + + + 10060-11-4 InChI=1/Cl2Ge/c1-3-2 Cl2Ge @@ -18904,11 +18904,11 @@ - + - - - + + + 13940-63-1 InChI=1/F2Ge/c1-3-2 F2Ge @@ -18918,11 +18918,11 @@ - + - - - + + + 1310-53-8 InChI=1/GeO2/c2-1-3 GeO2 @@ -18938,11 +18938,11 @@ - + - - - + + + 12065-11-1 InChI=1/GeSe2/c2-1-3 GeSe2 @@ -18955,11 +18955,11 @@ - + - - - + + + 14929-46-5 InChI=1/FGe/c1-2 FGe @@ -18969,11 +18969,11 @@ - + - - - + + + 12065-10-0 GeSe Germanium monoselenide @@ -18981,11 +18981,11 @@ - + - - - + + + 12025-32-0 InChI=1/GeH2S/c1-2/h1H2 GeS @@ -18998,11 +18998,11 @@ - + - - - + + + 12025-39-7 GeTe Germanium monotelluride @@ -19010,11 +19010,11 @@ - + - - - + + + 20619-16-3 InChI=1/GeH2O/c1-2/h1H2 GeO @@ -19026,11 +19026,11 @@ - + - - - + + + 13450-92-5 Br4Ge Germanium tetrabromide @@ -19038,11 +19038,11 @@ - + - - - + + + 10038-98-9 InChI=1/Cl4Ge/c1-5(2,3)4 Cl4Ge @@ -19059,11 +19059,11 @@ - + - - - + + + 7783-58-6 InChI=1/F4Ge/c1-5(2,3)4 F4Ge @@ -19075,11 +19075,11 @@ - + - - - + + + 13450-95-8 InChI=1/GeI4/c2-1(3,4)5 GeI4 @@ -19091,11 +19091,11 @@ - + - - - + + + 50-99-7 InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2 C6H12O6 @@ -19130,11 +19130,11 @@ - + - - - + + + 111-30-8 InChI=1/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2 C5H8O2 @@ -19184,11 +19184,11 @@ - + - - - + + + 544-13-8 InChI=1/C5H6N2/c6-4-2-1-3-5-7/h1-3H2 C5H6N2 @@ -19204,11 +19204,11 @@ - + - - - + + + 556-52-5 InChI=1/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2 C3H6O2 @@ -19239,11 +19239,11 @@ - + - - - + + + 56-40-6 InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) C2H5NO2 @@ -19276,11 +19276,11 @@ - + - - - + + + 7440-57-5 InChI=1/Au Au @@ -19299,11 +19299,11 @@ - + - - - + + + 10294-56-1 InChI=1/H3O3P/c1-4(2)3/h1-3H H3O3P @@ -19313,11 +19313,11 @@ - + - - - + + + 7440-58-6 InChI=1/Hf Hf @@ -19329,11 +19329,11 @@ - + - - - + + + 12055-23-1 InChI=1/Hf.2O HfO2 @@ -19347,11 +19347,11 @@ - + - - - + + + 25817-87-2 InChI=1/Hf.N HfN @@ -19364,11 +19364,11 @@ - + - - - + + + 13777-22-5 InChI=1/4BrH.Hf/h4*1H;/q;;;;+4/p-4 Br4Hf @@ -19380,11 +19380,11 @@ - + - - - + + + 13499-05-3 InChI=1/4ClH.Hf/h4*1H;/q;;;;+4/p-4 Cl4Hf @@ -19397,11 +19397,11 @@ - + - - - + + + 13777-23-6 InChI=1/Hf.4HI/h;4*1H/q+4;;;;/p-4 HfI4 @@ -19412,11 +19412,11 @@ - + - - - + + + 151-67-7 InChI=1/C2HBrClF3/c3-1(4)2(5,6)7/h1H C2HBrClF3 @@ -19453,11 +19453,11 @@ - + - - - + + + 7440-59-7 InChI=1/He He @@ -19471,11 +19471,11 @@ - + - - - + + + 629-78-7 InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3 C17H36 @@ -19486,11 +19486,11 @@ - + - - - + + + 506-12-7 InChI=1/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19) C17H34O2 @@ -19505,11 +19505,11 @@ - + - - - + + + 111-71-7 InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 C7H14O @@ -19536,11 +19536,11 @@ - + - - - + + + 142-82-5 InChI=1/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 C7H16 @@ -19561,11 +19561,11 @@ - + - - - + + + 629-04-9 InChI=1/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3 C7H15Br @@ -19578,11 +19578,11 @@ - + - - - + + + 592-27-8 InChI=1/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3 C8H18 @@ -19594,11 +19594,11 @@ - + - - - + + + 1071-26-7 InChI=1/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3 C9H20 @@ -19608,11 +19608,11 @@ - + - - - + + + 1072-05-5 InChI=1/C9H20/c1-8(2)6-5-7-9(3)4/h8-9H,5-7H2,1-4H3 C9H20 @@ -19622,11 +19622,11 @@ - + - - - + + + 15869-80-4 InChI=1/C9H20/c1-4-7-8-9(5-2)6-3/h9H,4-8H2,1-3H3 C9H20 @@ -19636,11 +19636,11 @@ - + - - - + + + 589-81-1 InChI=1/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3 C8H18 @@ -19651,11 +19651,11 @@ - + - - - + + + 1632-16-2 InChI=1/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3 C8H16 @@ -19670,11 +19670,11 @@ - + - - - + + + 7154-80-5 InChI=1/C10H22/c1-6-9(3)8-10(4,5)7-2/h9H,6-8H2,1-5H3 C10H22 @@ -19684,11 +19684,11 @@ - + - - - + + + 589-53-7 InChI=1/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3 C8H18 @@ -19699,11 +19699,11 @@ - + - - - + + + 335-57-9 InChI=1/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23 C7F16 @@ -19716,11 +19716,11 @@ - + - - - + + + 111-16-0 InChI=1/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) C7H12O4 @@ -19736,11 +19736,11 @@ - + - - - + + + 111-14-8 InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) C7H14O2 @@ -19764,11 +19764,11 @@ - + - - - + + + 21459-04-1 InChI=1/S7/c1-2-4-6-7-5-3-1 S7 @@ -19779,11 +19779,11 @@ - + - - - + + + 544-76-3 InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 C16H34 @@ -19795,11 +19795,11 @@ - + - - - + + + 57-10-3 InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) C16H32O2 @@ -19825,11 +19825,11 @@ - + - - - + + + 87-89-8 InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H C6H12O6 @@ -19870,11 +19870,11 @@ - + - - - + + + 541-05-9 InChI=1/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3 C6H18O3Si3 @@ -19887,11 +19887,11 @@ - + - - - + + + 100-97-0 InChI=1/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2 C6H12N4 @@ -19956,11 +19956,11 @@ - + - - - + + + 66-25-1 InChI=1/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 C6H12O @@ -19985,11 +19985,11 @@ - + - - - + + + 123-05-7 InChI=1/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3 C8H16O @@ -20011,11 +20011,11 @@ - + - - - + + + 925-54-2 InChI=1/C7H14O/c1-3-4-5-7(2)6-8/h6-7H,3-5H2,1-2H3 C7H14O @@ -20026,11 +20026,11 @@ - + - - - + + + 110-54-3 InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 C6H14 @@ -20050,11 +20050,11 @@ - + - - - + + + 638-45-9 InChI=1/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3 C6H13I @@ -20068,11 +20068,11 @@ - + - - - + + + 112-58-3 InChI=1/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3 C12H26O @@ -20088,11 +20088,11 @@ - + - - - + + + 591-76-4 InChI=1/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3 C7H16 @@ -20103,11 +20103,11 @@ - + - - - + + + 590-73-8 InChI=1/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3 C8H18 @@ -20118,11 +20118,11 @@ - + - - - + + + 16747-25-4 InChI=1/C9H20/c1-6-7-8(2)9(3,4)5/h8H,6-7H2,1-5H3 C9H20 @@ -20132,11 +20132,11 @@ - + - - - + + + 13475-81-5 InChI=1/C10H22/c1-7-8-10(5,6)9(2,3)4/h7-8H2,1-6H3 C10H22 @@ -20146,11 +20146,11 @@ - + - - - + + + 16747-26-5 InChI=1/C9H20/c1-6-8(2)7-9(3,4)5/h8H,6-7H2,1-5H3 C9H20 @@ -20160,11 +20160,11 @@ - + - - - + + + 3522-94-9 InChI=1/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3 C9H20 @@ -20174,11 +20174,11 @@ - + - - - + + + 1071-81-4 InChI=1/C10H22/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3 C10H22 @@ -20189,11 +20189,11 @@ - + - - - + + + 584-94-1 InChI=1/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3 C8H18 @@ -20204,11 +20204,11 @@ - + - - - + + + 589-43-5 InChI=1/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3 C8H18 @@ -20218,11 +20218,11 @@ - + - - - + + + 16747-30-1 InChI=1/C9H20/c1-6-9(4,5)7-8(2)3/h8H,6-7H2,1-5H3 C9H20 @@ -20232,11 +20232,11 @@ - + - - - + + + 592-13-2 InChI=1/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3 C8H18 @@ -20247,11 +20247,11 @@ - + - - - + + + 619-99-8 InChI=1/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3 C8H18 @@ -20261,11 +20261,11 @@ - + - - - + + + 589-34-4 InChI=1/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3 C7H16 @@ -20276,11 +20276,11 @@ - + - - - + + + 563-16-6 InChI=1/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3 C8H18 @@ -20290,11 +20290,11 @@ - + - - - + + + 583-48-2 InChI=1/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3 C8H18 @@ -20305,11 +20305,11 @@ - + - - - + + + 111-69-3 InChI=1/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2 C6H8N2 @@ -20329,11 +20329,11 @@ - + - - - + + + 124-04-9 InChI=1/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) C6H10O4 @@ -20351,11 +20351,11 @@ - + - - - + + + 110-33-8 InChI=1/C18H34O4/c1-3-5-7-11-15-21-17(19)13-9-10-14-18(20)22-16-12-8-6-4-2/h3-16H2,1-2H3 C18H34O4 @@ -20369,11 +20369,11 @@ - + - - - + + + 123-79-5 InChI=1/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3 C22H42O4 @@ -20390,11 +20390,11 @@ - + - - - + + + 628-73-9 InChI=1/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3 C6H11N @@ -20411,11 +20411,11 @@ - + - - - + + + 142-62-1 InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) C6H12O2 @@ -20443,11 +20443,11 @@ - + - - - + + + 149-57-5 InChI=1/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) C8H16O2 @@ -20471,11 +20471,11 @@ - + - - - + + + 142-92-7 InChI=1/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3 C8H16O2 @@ -20495,11 +20495,11 @@ - + - - - + + + 7440-60-0 InChI=1/Ho Ho @@ -20509,11 +20509,11 @@ - + - - - + + + 10138-62-2 InChI=1/3ClH.Ho/h3*1H;/q;;;+3/p-3 Cl3Ho @@ -20526,11 +20526,11 @@ - + - - - + + + 13760-78-6 InChI=1/3FH.Ho/h3*1H;/q;;;+3/p-3 F3Ho @@ -20542,11 +20542,11 @@ - + - - - + + + 302-01-2 InChI=1/H4N2/c1-2/h1-2H2 H4N2 @@ -20571,11 +20571,11 @@ - + - - - + + + 122-66-7 InChI=1/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H C12H12N2 @@ -20594,11 +20594,11 @@ - + - - - + + + 60-34-4 InChI=1/CH6N2/c1-3-2/h3H,2H2,1H3 CH6N2 @@ -20616,11 +20616,11 @@ - + - - - + + + 100-63-0 InChI=1/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2 C6H8N2 @@ -20637,11 +20637,11 @@ - + - - - + + + 7698-05-7 InChI=1/ClH/h1H/i/hD DCl @@ -20651,11 +20651,11 @@ - + - - - + + + 14333-26-7 InChI=1/FH/h1H/i/hD DF @@ -20666,11 +20666,11 @@ - + - - - + + + 1333-74-0 InChI=1/H2/h1H H2 @@ -20686,11 +20686,11 @@ - + - - - + + + 12385-13-6 InChI=1/H H @@ -20703,11 +20703,11 @@ - + - - - + + + 10035-10-6 InChI=1/BrH/h1H HBr @@ -20727,11 +20727,11 @@ - + - - - + + + 7647-01-0 InChI=1/ClH/h1H HCl @@ -20767,11 +20767,11 @@ - + - - - + + + 74-90-8 InChI=1/CHN/c1-2/h1H CHN @@ -20812,11 +20812,11 @@ - + - - - + + + 24993-08-6 InChI=1/6FH/h6*1H H6F6 @@ -20825,11 +20825,11 @@ - + - - - + + + 10034-85-2 InChI=1/HI/h1H HI @@ -20846,11 +20846,11 @@ - + - - - + + + 7722-84-1 InChI=1/H2O2/c1-2/h1-2H H2O2 @@ -20914,11 +20914,11 @@ - + - - - + + + 7783-07-5 InChI=1/H2Se/h1H2 H2Se @@ -20932,11 +20932,11 @@ - + - - - + + + 7783-06-4 InChI=1/H2S/h1H2 H2S @@ -20969,11 +20969,11 @@ - + - - - + + + 13536-94-2 InChI=1/H2S/h1H2/i/hD2 D2S @@ -20983,11 +20983,11 @@ - + - - - + + + 7783-09-7 InChI=1/H2Te/h1H2 H2Te @@ -20998,11 +20998,11 @@ - + - - - + + + 80-15-9 InChI=1/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3 C9H12O2 @@ -21042,11 +21042,11 @@ - + - - - + + + 123-31-9 InChI=1/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H C6H6O2 @@ -21108,11 +21108,11 @@ - + - - - + + + 6915-15-7 InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) C4H6O5 @@ -21134,11 +21134,11 @@ - + - - - + + + 13587-54-7 InChI=1/HO/h1H/i1D DO @@ -21148,11 +21148,11 @@ - + - - - + + + 3352-57-6 InChI=1/HO/h1H HO @@ -21164,11 +21164,11 @@ - + - - - + + + 7803-49-8 InChI=1/H3NO/c1-2/h2H,1H2 H3NO @@ -21180,11 +21180,11 @@ - + - - - + + + 7790-92-3 InChI=1/ClHO/c1-2/h2H HClO @@ -21195,11 +21195,11 @@ - + - - - + + + 13774-92-0 InChI=1/HN/h1H HN @@ -21209,11 +21209,11 @@ - + - - - + + + 15123-00-9 DN Imidogen-d @@ -21221,11 +21221,11 @@ - + - - - + + + 496-11-7 InChI=1/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2 C9H10 @@ -21243,11 +21243,11 @@ - + - - - + + + 95-13-6 InChI=1/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2 C9H8 @@ -21257,11 +21257,11 @@ - + - - - + + + 7440-74-6 InChI=1/In In @@ -21271,11 +21271,11 @@ - + - - - + + + 14280-53-6 BrIn Indium monobromide @@ -21283,11 +21283,11 @@ - + - - - + + + 13465-10-6 ClIn Indium monochloride @@ -21295,11 +21295,11 @@ - + - - - + + + 13966-95-5 FIn Indium monofluoride @@ -21307,11 +21307,11 @@ - + - - - + + + 13966-94-4 IIn Indium monoiodide @@ -21319,11 +21319,11 @@ - + - - - + + + 12030-14-7 InS Indium monosulfide @@ -21331,11 +21331,11 @@ - + - - - + + + 12030-19-2 InTe Indium monotelluride @@ -21343,11 +21343,11 @@ - + - - - + + + 13465-09-3 InChI=1/3BrH.In/h3*1H;/q;;;+3/p-3 Br3In @@ -21360,11 +21360,11 @@ - + - - - + + + 10025-82-8 InChI=1/3ClH.In/h3*1H;/q;;;+3/p-3 Cl3In @@ -21377,11 +21377,11 @@ - + - - - + + + 13510-35-5 InChI=1/3HI.In/h3*1H;/q;;;+3/p-3 I3In @@ -21395,11 +21395,11 @@ - + - - - + + + 120-72-9 InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H C8H7N @@ -21415,11 +21415,11 @@ - + - - - + + + 7553-56-2 InChI=1/I2/c1-2 I2 @@ -21443,11 +21443,11 @@ - + - - - + + + 14362-44-8 InChI=1/I I @@ -21458,11 +21458,11 @@ - + - - - + + + 13842-56-3 InChI=1/BH2I/c1-2/h1H2 BI @@ -21472,11 +21472,11 @@ - + - - - + + + 75-03-6 InChI=1/C2H5I/c1-2-3/h2H2,1H3 C2H5I @@ -21493,11 +21493,11 @@ - + - - - + + + 13841-19-5 ISi Iodosilylidyne @@ -21505,11 +21505,11 @@ - + - - - + + + 7439-88-5 InChI=1/Ir Ir @@ -21519,11 +21519,11 @@ - + - - - + + + 12030-49-8 InChI=1/Ir.2O IrO2 @@ -21537,11 +21537,11 @@ - + - - - + + + 12030-50-1 InChI=1/Ir.3O IrO3 @@ -21551,11 +21551,11 @@ - + - - - + + + 7439-89-6 InChI=1/Fe Fe @@ -21581,11 +21581,11 @@ - + - - - + + + 16480-60-7 InChI=1/4ClH.2Cl.2Fe/h4*1H;;;;/q;;;;;;2*+2/p-4 Cl6Fe2 @@ -21595,11 +21595,11 @@ - + - - - + + + 7758-94-3 InChI=1/2ClH.Fe/h2*1H;/q;;+2/p-2 Cl2Fe @@ -21619,11 +21619,11 @@ - + - - - + + + 7783-86-0 InChI=1/Fe.2HI/h;2*1H/q+2;;/p-2 FeI2 @@ -21638,11 +21638,11 @@ - + - - - + + + 1309-33-7 InChI=1/Fe.3H2O/h;3*1H2/q+3;;;/p-3 H3FeO3 @@ -21653,11 +21653,11 @@ - + - - - + + + 1345-25-1 InChI=1/Fe.O FeO @@ -21674,11 +21674,11 @@ - + - - - + + + 1309-38-2 Fe3O4 Iron oxide @@ -21686,11 +21686,11 @@ - + - - - + + + 13463-40-6 InChI=1/5CO.Fe/c5*1-2; C5FeO5 @@ -21704,11 +21704,11 @@ - + - - - + + + 7783-50-8 InChI=1/3FH.Fe/h3*1H;/q;;;+3/p-3 F3Fe @@ -21722,11 +21722,11 @@ - + - - - + + + 75-28-5 InChI=1/C4H10/c1-4(2)3/h4H,1-3H3 C4H10 @@ -21749,11 +21749,11 @@ - + - - - + + + 110-19-0 InChI=1/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3 C6H12O2 @@ -21774,11 +21774,11 @@ - + - - - + + + 628-55-7 InChI=1/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3 C8H18O @@ -21791,11 +21791,11 @@ - + - - - + + + 625-44-5 InChI=1/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3 C5H12O @@ -21809,11 +21809,11 @@ - + - - - + + + 503-64-0 InChI=1/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2- C4H6O2 @@ -21830,11 +21830,11 @@ - + - - - + + + 22400-26-6 InChI=1/CNO/c2-1-3 CNO @@ -21847,11 +21847,11 @@ - + - - - + + + 75-13-8 InChI=1/CHNO/c2-1-3/h2H CHNO @@ -21864,11 +21864,11 @@ - + - - - + + + 110-27-0 InChI=1/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3 C17H34O2 @@ -21916,11 +21916,11 @@ - + - - - + + + 689-12-3 InChI=1/C6H10O2/c1-4-6(7)8-5(2)3/h4-5H,1H2,2-3H3 C6H10O2 @@ -21934,11 +21934,11 @@ - + - - - + + + 67-63-0 InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3 C3H8O @@ -22003,11 +22003,11 @@ - + - - - + + + 119-65-3 InChI=1/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H C9H7N @@ -22024,11 +22024,11 @@ - + - - - + + + 288-14-2 InChI=1/C3H3NO/c1-2-4-5-3-1/h1-3H C3H3NO @@ -22039,11 +22039,11 @@ - + - - - + + + 463-51-4 InChI=1/C2H2O/c1-2-3/h1H2 C2H2O @@ -22057,11 +22057,11 @@ - + - - - + + + 7439-90-9 InChI=1/Kr Kr @@ -22073,11 +22073,11 @@ - + - - - + + + 50-81-7 InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2 C6H8O6 @@ -22212,11 +22212,11 @@ - + - - - + + + 56-86-0 InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 C5H9NO4 @@ -22249,11 +22249,11 @@ - + - - - + + + 150-30-1 InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) C9H11NO2 @@ -22272,11 +22272,11 @@ - + - - - + + + 598-82-3 InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) C3H6O3 @@ -22297,11 +22297,11 @@ - + - - - + + + 7439-91-0 InChI=1/La La @@ -22312,11 +22312,11 @@ - + - - - + + + 12031-30-0 LaS Lanthanum monosulfide @@ -22324,11 +22324,11 @@ - + - - - + + + 12031-20-8 LaO Lanthanum monoxide @@ -22336,11 +22336,11 @@ - + - - - + + + 13536-79-3 InChI=1/3BrH.La/h3*1H;/q;;;+3/p-3 Br3La @@ -22353,11 +22353,11 @@ - + - - - + + + 10099-58-8 InChI=1/3ClH.La/h3*1H;/q;;;+3/p-3 Cl3La @@ -22370,11 +22370,11 @@ - + - - - + + + 13709-38-1 InChI=1/3FH.La/h3*1H;/q;;;+3/p-3 F3La @@ -22386,11 +22386,11 @@ - + - - - + + + 13813-22-4 InChI=1/3HI.La/h3*1H;/q;;;+3/p-3 I3La @@ -22402,11 +22402,11 @@ - + - - - + + + 7439-92-1 InChI=1/Pb Pb @@ -22427,11 +22427,11 @@ - + - - - + + + 10031-22-8 InChI=1/2BrH.Pb/h2*1H;/q;;+2/p-2 Br2Pb @@ -22444,11 +22444,11 @@ - + - - - + + + 7758-95-4 InChI=1/2ClH.Pb/h2*1H;/q;;+2/p-2 Cl2Pb @@ -22465,11 +22465,11 @@ - + - - - + + + 7783-46-2 InChI=1/2FH.Pb/h2*1H;/q;;+2/p-2 F2Pb @@ -22486,11 +22486,11 @@ - + - - - + + + 10101-63-0 InChI=1/2HI.Pb/h2*1H;/q;;+2/p-2 I2Pb @@ -22503,11 +22503,11 @@ - + - - - + + + 1309-60-0 InChI=1/2O.Pb O2Pb @@ -22530,11 +22530,11 @@ - + - - - + + + 14986-72-2 FPb Lead monofluoride @@ -22542,11 +22542,11 @@ - + - - - + + + 12069-00-0 PbSe Lead monoselenide @@ -22554,11 +22554,11 @@ - + - - - + + + 1314-87-0 InChI=1/Pb.S PbS @@ -22576,11 +22576,11 @@ - + - - - + + + 1314-91-6 InChI=1/Pb.Te PbTe @@ -22593,11 +22593,11 @@ - + - - - + + + 1317-36-8 InChI=1/O.Pb OPb @@ -22630,11 +22630,11 @@ - + - - - + + + 10099-76-0 O3PbSi Lead silicate @@ -22642,11 +22642,11 @@ - + - - - + + + 7446-14-2 InChI=1/H2O4S.Pb/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2 O4PbS @@ -22673,11 +22673,11 @@ - + - - - + + + 7783-59-7 InChI=1/4FH.Pb/h4*1H;/q;;;;+4/p-4 F4Pb @@ -22690,11 +22690,11 @@ - + - - - + + + 7439-93-2 InChI=1/Li Li @@ -22705,11 +22705,11 @@ - + - - - + + + 12003-67-7 InChI=1/Al.Li.2O AlLiO2 @@ -22722,11 +22722,11 @@ - + - - - + + + 12007-60-2 B4Li2O7 Lithium borate @@ -22734,11 +22734,11 @@ - + - - - + + + 7550-35-8 InChI=1/BrH.Li/h1H;/q;+1/p-1 BrLi @@ -22750,11 +22750,11 @@ - + - - - + + + 554-13-2 InChI=1/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2 CLi2O3 @@ -22811,11 +22811,11 @@ - + - - - + + + 59217-69-5 InChI=1/3Cl.3Li Cl3Li3 @@ -22825,11 +22825,11 @@ - + - - - + + + 14452-59-6 InChI=1/2Li Li2 @@ -22840,11 +22840,11 @@ - + - - - + + + 12265-82-6 InChI=1/2F.2Li F2Li2 @@ -22854,11 +22854,11 @@ - + - - - + + + 13821-20-0 InChI=1/Al.6FH.3Li/h;6*1H;;;/q+3;;;;;;;3*+1/p-6 AlF6Li3 @@ -22869,11 +22869,11 @@ - + - - - + + + 7580-67-8 InChI=1/Li.H HLi @@ -22887,11 +22887,11 @@ - + - - - + + + 1310-65-2 InChI=1/Li.H2O/h;1H2/q+1;/p-1 HLiO @@ -22905,11 +22905,11 @@ - + - - - + + + 13840-33-0 InChI=1/ClO.Li/c1-2;/q-1;+1 ClLiO @@ -22922,11 +22922,11 @@ - + - - - + + + 34240-84-1 InChI=1/FO.Li/c1-2;/q-1;+1 FLiO @@ -22936,11 +22936,11 @@ - + - - - + + + 10377-51-2 InChI=1/HI.Li/h1H;/q;+1/p-1 ILi @@ -22952,11 +22952,11 @@ - + - - - + + + 13453-69-5 InChI=1/BO2.Li/c2-1-3;/q-1;+1 BLiO2 @@ -22968,11 +22968,11 @@ - + - - - + + + 12142-77-7 LiO Lithium monoxide @@ -22980,11 +22980,11 @@ - + - - - + + + 26134-62-3 InChI=1/3Li.N Li3N @@ -22996,11 +22996,11 @@ - + - - - + + + 7791-03-9 InChI=1/ClHO4.Li/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1 ClLiO4 @@ -23012,11 +23012,11 @@ - + - - - + + + 12031-80-0 InChI=1/2Li.O2/c;;1-2 Li2O2 @@ -23028,11 +23028,11 @@ - + - - - + + + 10102-24-6 Li2O3Si Lithium silicate @@ -23040,11 +23040,11 @@ - + - - - + + + 10377-48-7 InChI=1/2Li.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2 Li2O4S @@ -23063,11 +23063,11 @@ - + - - - + + + 15138-76-8 InChI=1/Al.2FH.2F.Li/h;2*1H;;;/q+2;;;;;/p-2 AlF4Li @@ -23078,11 +23078,11 @@ - + - - - + + + 13874-36-7 BeF4Li2 Lithium tetrafluoroberyllate @@ -23090,11 +23090,11 @@ - + - - - + + + 15552-34-8 BeF3Li Lithium trifluoroberyllate @@ -23102,11 +23102,11 @@ - + - - - + + + 7439-94-3 InChI=1/Lu Lu @@ -23116,11 +23116,11 @@ - + - - - + + + 56-87-1 InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 C6H14N2O2 @@ -23145,11 +23145,11 @@ - + - - - + + + 7439-95-4 InChI=1/Mg Mg @@ -23171,11 +23171,11 @@ - + - - - + + + 12068-51-8 Al2MgO4 Magnesium aluminum oxide @@ -23183,11 +23183,11 @@ - + - - - + + + 12007-25-9 B2Mg Magnesium boride @@ -23195,11 +23195,11 @@ - + - - - + + + 14519-11-0 BrMg Magnesium bromide @@ -23207,11 +23207,11 @@ - + - - - + + + 12122-46-2 C2Mg Magnesium carbide @@ -23219,11 +23219,11 @@ - + - - - + + + 546-93-0 InChI=1/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2 CMgO3 @@ -23250,11 +23250,11 @@ - + - - - + + + 14989-29-8 ClMg Magnesium chloride @@ -23262,11 +23262,11 @@ - + - - - + + + 7789-48-2 InChI=1/2BrH.Mg/h2*1H;/q;;+2/p-2 Br2Mg @@ -23279,11 +23279,11 @@ - + - - - + + + 7786-30-3 InChI=1/2ClH.Mg/h2*1H;/q;;+2/p-2 Cl2Mg @@ -23303,11 +23303,11 @@ - + - - - + + + 10377-58-9 InChI=1/2HI.Mg/h2*1H;/q;;+2/p-2 I2Mg @@ -23319,11 +23319,11 @@ - + - - - + + + 12032-35-8 MgO5Ti2 Magnesium dititanium pentoxide @@ -23331,11 +23331,11 @@ - + - - - + + + 58790-41-3 InChI=1/2FH.2F.2Mg/h2*1H;;;;/q;;;;2*+1/p-2 F4Mg2 @@ -23345,11 +23345,11 @@ - + - - - + + + 7693-27-8 InChI=1/Mg.2H H2Mg @@ -23359,11 +23359,11 @@ - + - - - + + + 1309-42-8 InChI=1/Mg.2H2O/h;2*1H2/q+2;;/p-2 H2MgO2 @@ -23404,11 +23404,11 @@ - + - - - + + + 14332-62-8 IMg Magnesium iodide @@ -23416,11 +23416,11 @@ - + - - - + + + 14953-28-7 FMg Magnesium monofluoride @@ -23428,11 +23428,11 @@ - + - - - + + + 12141-11-6 InChI=1/Mg.H2O/h;1H2/q+1;/p-1 HMgO @@ -23443,11 +23443,11 @@ - + - - - + + + 1309-48-4 InChI=1/Mg.O MgO @@ -23510,11 +23510,11 @@ - + - - - + + + 12057-71-5 Mg3N2 Magnesium nitride @@ -23522,11 +23522,11 @@ - + - - - + + + 7757-87-1 InChI=1/3Mg.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6 Mg3O8P2 @@ -23540,11 +23540,11 @@ - + - - - + + + 7487-88-9 InChI=1/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 MgO4S @@ -23572,11 +23572,11 @@ - + - - - + + + 12032-36-9 MgS Magnesium sulfide @@ -23584,11 +23584,11 @@ - + - - - + + + 13573-11-0 InChI=1/Mg.4O.W/q+2;;;2*-1; MgO4W @@ -23600,11 +23600,11 @@ - + - - - + + + 121-75-5 InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 C10H19O6PS2 @@ -23748,11 +23748,11 @@ - + - - - + + + 141-82-2 InChI=1/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) C3H4O4 @@ -23769,11 +23769,11 @@ - + - - - + + + 109-77-3 InChI=1/C3H2N2/c4-2-1-3-5/h1H2 C3H2N2 @@ -23800,11 +23800,11 @@ - + - - - + + + 7439-96-5 InChI=1/Mn Mn @@ -23823,11 +23823,11 @@ - + - - - + + + 13446-03-2 InChI=1/2BrH.Mn/h2*1H;/q;;+2/p-2 Br2Mn @@ -23840,11 +23840,11 @@ - + - - - + + + 7773-01-5 InChI=1/2ClH.Mn/h2*1H;/q;;+2/p-2 Cl2Mn @@ -23864,11 +23864,11 @@ - + - - - + + + 7782-64-1 InChI=1/2FH.Mn/h2*1H;/q;;+2/p-2 F2Mn @@ -23883,11 +23883,11 @@ - + - - - + + + 1313-22-0 InChI=1/Mn.Se MnSe @@ -23900,11 +23900,11 @@ - + - - - + + + 1344-43-0 MnO Manganese monoxide @@ -23912,11 +23912,11 @@ - + - - - + + + 7783-53-1 InChI=1/3FH.Mn/h3*1H;/q;;;+3/p-3 F3Mn @@ -23929,11 +23929,11 @@ - + - - - + + + 150-76-5 InChI=1/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3 C7H8O2 @@ -23965,11 +23965,11 @@ - + - - - + + + 13780-23-9 InChI=1/HS/h1H/i1D DS @@ -23979,11 +23979,11 @@ - + - - - + + + 13940-21-1 InChI=1/HS/h1H HS @@ -23995,11 +23995,11 @@ - + - - - + + + 1600-27-7 InChI=1/2C2H4O2.Hg/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2 C4H6HgO4 @@ -24008,11 +24008,11 @@ - + - - - + + + 10112-91-1 InChI=1/2ClH.2Hg/h2*1H;;/q;;2*+1/p-2 Cl2Hg2 @@ -24036,11 +24036,11 @@ - + - - - + + + 13766-44-4 Hg2O4S Mercurous sulfate @@ -24048,11 +24048,11 @@ - + - - - + + + 7439-97-6 InChI=1/Hg Hg @@ -24079,11 +24079,11 @@ - + - - - + + + 21908-53-2 InChI=1/Hg.O HgO @@ -24105,11 +24105,11 @@ - + - - - + + + 10031-18-2 InChI=1/BrH.Hg/h1H;/q;+1/p-1 BrHg @@ -24122,11 +24122,11 @@ - + - - - + + + 7546-30-7 InChI=1/ClH.Hg/h1H;/q;+1/p-1 ClHg @@ -24157,11 +24157,11 @@ - + - - - + + + 7789-47-1 InChI=1/2BrH.Hg/h2*1H;/q;;+2/p-2 Br2Hg @@ -24178,11 +24178,11 @@ - + - - - + + + 7487-94-7 InChI=1/2ClH.Hg/h2*1H;/q;;+2/p-2 Cl2Hg @@ -24224,11 +24224,11 @@ - + - - - + + + 7774-29-0 InChI=1/Hg.2HI/h;2*1H/q+2;;/p-2 HgI2 @@ -24247,11 +24247,11 @@ - + - - - + + + 13967-25-4 F2Hg2 Mercury fluoride @@ -24259,11 +24259,11 @@ - + - - - + + + 13966-62-6 HHg Mercury hydride @@ -24271,11 +24271,11 @@ - + - - - + + + 15385-57-6 InChI=1/2Hg.2HI/h;;2*1H/q2*+1;;/p-2 Hg2I2 @@ -24291,11 +24291,11 @@ - + - - - + + + 124-40-3 InChI=1/C2H7N/c1-3-2/h3H,1-2H3 C2H7N @@ -24312,11 +24312,11 @@ - + - - - + + + 74-82-8 InChI=1/CH4/h1H4 CH4 @@ -24333,11 +24333,11 @@ - + - - - + + + 74-97-5 InChI=1/CH2BrCl/c2-1-3/h1H2 CH2BrCl @@ -24356,11 +24356,11 @@ - + - - - + + + 353-59-3 InChI=1/CBrClF2/c2-1(3,4)5 CBrClF2 @@ -24383,11 +24383,11 @@ - + - - - + + + 1511-62-2 InChI=1/CHBrF2/c2-1(3)4/h1H CHBrF2 @@ -24399,11 +24399,11 @@ - + - - - + + + 75-62-7 InChI=1/CBrCl3/c2-1(3,4)5 CBrCl3 @@ -24419,11 +24419,11 @@ - + - - - + + + 75-63-8 InChI=1/CBrF3/c2-1(3,4)5 CBrF3 @@ -24451,11 +24451,11 @@ - + - - - + + + 75-45-6 InChI=1/CHClF2/c2-1(3)4/h1H CHClF2 @@ -24504,11 +24504,11 @@ - + - - - + + + 593-70-4 InChI=1/CH2ClF/c2-1-3/h1H2 CH2ClF @@ -24525,11 +24525,11 @@ - + - - - + + + 107-30-2 InChI=1/C2H5ClO/c1-4-2-3/h2H2,1H3 C2H5ClO @@ -24556,11 +24556,11 @@ - + - - - + + + 75-72-9 InChI=1/CClF3/c2-1(3,4)5 CClF3 @@ -24595,11 +24595,11 @@ - + - - - + + + 74-95-3 InChI=1/CH2Br2/c2-1-3/h1H2 CH2Br2 @@ -24615,11 +24615,11 @@ - + - - - + + + 75-61-6 InChI=1/CBr2F2/c2-1(3,4)5 CBr2F2 @@ -24634,11 +24634,11 @@ - + - - - + + + 75-43-4 InChI=1/CHCl2F/c2-1(3)4/h1H CHCl2F @@ -24665,11 +24665,11 @@ - + - - - + + + 75-10-5 InChI=1/CH2F2/c2-1-3/h1H2 CH2F2 @@ -24686,11 +24686,11 @@ - + - - - + + + 75-11-6 InChI=1/CH2I2/c2-1-3/h1H2 CH2I2 @@ -24708,11 +24708,11 @@ - + - - - + + + 109-87-5 InChI=1/C3H8O2/c1-4-3-5-2/h3H2,1-2H3 C3H8O2 @@ -24739,11 +24739,11 @@ - + - - - + + + 624-83-9 InChI=1/C2H3NO/c1-3-2-4/h1H3 C2H3NO @@ -24768,11 +24768,11 @@ - + - - - + + + 75-52-5 InChI=1/CH3NO2/c1-2(3)4/h1H3 CH3NO2 @@ -24790,11 +24790,11 @@ - + - - - + + + 542-88-1 InChI=1/C2H4Cl2O/c3-1-5-2-4/h1-2H2 C2H4Cl2O @@ -24824,11 +24824,11 @@ - + - - - + + + 509-14-8 InChI=1/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13 CN4O8 @@ -24842,11 +24842,11 @@ - + - - - + + + 75-25-2 InChI=1/CHBr3/c2-1(3)4/h1H CHBr3 @@ -24867,11 +24867,11 @@ - + - - - + + + 75-46-7 InChI=1/CHF3/c2-1(3)4/h1H CHF3 @@ -24897,11 +24897,11 @@ - + - - - + + + 124-63-0 InChI=1/CH3ClO2S/c1-5(2,3)4/h1H3 CH3ClO2S @@ -24918,11 +24918,11 @@ - + - - - + + + 74-93-1 InChI=1/CH4S/c1-2/h2H,1H3 CH4S @@ -24946,11 +24946,11 @@ - + - - - + + + 67-56-1 InChI=1/CH4O/c1-2/h2H,1H3 CH4O @@ -24982,11 +24982,11 @@ - + - - - + + + 74-83-9 InChI=1/CH3Br/c1-2/h1H3 CH3Br @@ -25041,11 +25041,11 @@ - + - - - + + + 74-87-3 InChI=1/CH3Cl/c1-2/h1H3 CH3Cl @@ -25071,11 +25071,11 @@ - + - - - + + + 20156-50-7 InChI=1/CH4Cl2Si/c1-4(2)3/h4H,1H3 CH4Cl2Si @@ -25085,11 +25085,11 @@ - + - - - + + + 593-53-3 InChI=1/CH3F/c1-2/h1H3 CH3F @@ -25104,11 +25104,11 @@ - + - - - + + + 107-31-3 InChI=1/C2H4O2/c1-4-2-3/h2H,1H3 C2H4O2 @@ -25128,11 +25128,11 @@ - + - - - + + + 74-88-4 InChI=1/CH3I/c1-2/h1H3 CH3I @@ -25157,11 +25157,11 @@ - + - - - + + + 108-10-1 InChI=1/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 C6H12O @@ -25198,11 +25198,11 @@ - + - - - + + + 557-17-5 InChI=1/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3 C4H10O @@ -25220,11 +25220,11 @@ - + - - - + + + 2229-07-4 InChI=1/CH3/h1H3 CH3 @@ -25235,11 +25235,11 @@ - + - - - + + + 74-89-5 InChI=1/CH5N/c1-2/h2H2,1H3 CH5N @@ -25259,11 +25259,11 @@ - + - - - + + + 105-59-9 InChI=1/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3 C5H13NO2 @@ -25294,11 +25294,11 @@ - + - - - + + + 2465-56-7 InChI=1/CH2/h1H2 CH2 @@ -25308,11 +25308,11 @@ - + - - - + + + 75-09-2 InChI=1/CH2Cl2/c2-1-3/h1H2 CH2Cl2 @@ -25346,11 +25346,11 @@ - + - - - + + + 3315-37-5 InChI=1/CH/h1H CH @@ -25360,20063 +25360,20063 @@ - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - 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+ + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + 7439-98-7 InChI=1/Mo Mo @@ -45427,11 +45427,11 @@ - + - - - + + + 18868-43-4 InChI=1/Mo.2O MoO2 @@ -45444,11 +45444,11 @@ - + - - - + + + 1313-27-5 InChI=1/Mo.3O MoO3 @@ -45473,11 +45473,11 @@ - + - - - + + + 12011-97-1 CMo Molybdenum carbide @@ -45485,11 +45485,11 @@ - + - - - + + + 13637-68-8 InChI=1/2ClH.Mo.2O/h2*1H;;;/q;;+2;;/p-2 Cl2MoO2 @@ -45501,11 +45501,11 @@ - + - - - + + + 13939-06-5 InChI=1/6CO.Mo/c6*1-2; C6MoO6 @@ -45519,11 +45519,11 @@ - + - - - + + + 12058-07-0 MoO Molybdenum monoxide @@ -45531,11 +45531,11 @@ - + - - - + + + 12033-33-9 Mo2S3 Molybdenum sulfide @@ -45543,11 +45543,11 @@ - + - - - + + + 111-03-5 InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9- C21H40O4 @@ -45586,11 +45586,11 @@ - + - - - + + + 14989-30-1 InChI=1/ClO/c1-2 ClO @@ -45601,11 +45601,11 @@ - + - - - + + + 12033-56-6 InChI=1/NS/c1-2 NS @@ -45617,11 +45617,11 @@ - + - - - + + + 12401-70-6 KO Monopotassium monooxide @@ -45629,11 +45629,11 @@ - + - - - + + + 12401-86-4 NaO Monosodium monoxide @@ -45641,11 +45641,11 @@ - + - - - + + + 16068-96-5 InChI=1/FS/c1-2 FS @@ -45656,11 +45656,11 @@ - + - - - + + + 110-91-8 InChI=1/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2 C4H9NO @@ -45687,11 +45687,11 @@ - + - - - + + + 1302-93-8 Al6O13Si2 Mullite @@ -45699,11 +45699,11 @@ - + - - - + + + 1126-78-9 InChI=1/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3 C10H15N @@ -45719,11 +45719,11 @@ - + - - - + + + 18328-90-0 InChI=1/C6H13N/c1-4-7-5-6(2)3/h7H,2,4-5H2,1,3H3 C6H13N @@ -45735,11 +45735,11 @@ - + - - - + + + 103-70-8 InChI=1/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9) C7H7NO @@ -45755,11 +45755,11 @@ - + - - - + + + 4394-85-8 InChI=1/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2 C5H9NO2 @@ -45773,11 +45773,11 @@ - + - - - + + + 479-45-8 InChI=1/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3 C7H5N5O8 @@ -45807,11 +45807,11 @@ - + - - - + + + 644-49-5 InChI=1/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3 C7H14O2 @@ -45827,11 +45827,11 @@ - + - - - + + + 140-31-8 InChI=1/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2 C6H15N3 @@ -45855,11 +45855,11 @@ - + - - - + + + 836-30-6 InChI=1/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H C12H10N2O2 @@ -45874,11 +45874,11 @@ - + - - - + + + 540-61-4 InChI=1/C2H4N2/c3-1-2-4/h1,3H2 C2H4N2 @@ -45896,11 +45896,11 @@ - + - - - + + + 4048-33-3 InChI=1/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2 C6H15NO @@ -45918,11 +45918,11 @@ - + - - - + + + 60-00-4 InChI=1/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) C10H16N2O8 @@ -45984,11 +45984,11 @@ - + - - - + + + 92-24-0 InChI=1/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H C18H12 @@ -46006,11 +46006,11 @@ - + - - - + + + 91-20-3 InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H C10H8 @@ -46037,11 +46037,11 @@ - + - - - + + + 90-11-9 InChI=1/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H C10H7Br @@ -46054,11 +46054,11 @@ - + - - - + + + 1634-09-9 InChI=1/C14H16/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h4-6,8-11H,2-3,7H2,1H3 C14H16 @@ -46071,11 +46071,11 @@ - + - - - + + + 90-13-1 InChI=1/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H C10H7Cl @@ -46094,11 +46094,11 @@ - + - - - + + + 1127-76-0 InChI=1/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3 C12H12 @@ -46110,11 +46110,11 @@ - + - - - + + + 90-12-0 InChI=1/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3 C11H10 @@ -46126,11 +46126,11 @@ - + - - - + + + 605-02-7 InChI=1/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H C16H12 @@ -46140,11 +46140,11 @@ - + - - - + + + 2765-18-6 InChI=1/C13H14/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h3-5,7-10H,2,6H2,1H3 C13H14 @@ -46155,11 +46155,11 @@ - + - - - + + + 3173-72-6 InChI=1/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H C12H6N2O2 @@ -46172,11 +46172,11 @@ - + - - - + + + 939-27-5 InChI=1/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3 C12H12 @@ -46188,11 +46188,11 @@ - + - - - + + + 91-57-6 InChI=1/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3 C11H10 @@ -46205,11 +46205,11 @@ - + - - - + + + 581-42-0 InChI=1/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3 C12H12 @@ -46219,11 +46219,11 @@ - + - - - + + + 582-16-1 InChI=1/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3 C12H12 @@ -46233,11 +46233,11 @@ - + - - - + + + 493-01-6 InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+ C10H18 @@ -46255,11 +46255,11 @@ - + - - - + + + 493-02-7 InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10- C10H18 @@ -46276,11 +46276,11 @@ - + - - - + + + 471-77-2 InChI=1/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22) C20H30O2 @@ -46292,11 +46292,11 @@ - + - - - + + + 7440-00-8 InChI=1/Nd Nd @@ -46306,11 +46306,11 @@ - + - - - + + + 13536-80-6 InChI=1/3BrH.Nd/h3*1H;/q;;;+3/p-3 Br3Nd @@ -46322,11 +46322,11 @@ - + - - - + + + 10024-93-8 InChI=1/3ClH.Nd/h3*1H;/q;;;+3/p-3 Cl3Nd @@ -46338,11 +46338,11 @@ - + - - - + + + 13709-42-7 F3Nd Neodymium trifluoride @@ -46350,11 +46350,11 @@ - + - - - + + + 13813-24-6 InChI=1/3HI.Nd/h3*1H;/q;;;+3/p-3 I3Nd @@ -46366,11 +46366,11 @@ - + - - - + + + 7440-01-9 InChI=1/Ne Ne @@ -46382,11 +46382,11 @@ - + - - - + + + 7439-99-8 InChI=1/Np Np @@ -46396,11 +46396,11 @@ - + - - - + + + 59-67-6 InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) C6H5NO2 @@ -46484,11 +46484,11 @@ - + - - - + + + 7440-02-0 InChI=1/Ni Ni @@ -46522,11 +46522,11 @@ - + - - - + + + 16812-54-7 InChI=1/Ni.S NiS @@ -46539,11 +46539,11 @@ - + - - - + + + 13462-88-9 InChI=1/2BrH.Ni/h2*1H;/q;;+2/p-2 Br2Ni @@ -46559,11 +46559,11 @@ - + - - - + + + 7718-54-9 InChI=1/2ClH.Ni/h2*1H;/q;;+2/p-2 Cl2Ni @@ -46580,11 +46580,11 @@ - + - - - + + + 10028-18-9 InChI=1/2FH.Ni/h2*1H;/q;;+2/p-2 F2Ni @@ -46599,11 +46599,11 @@ - + - - - + + + 1313-99-1 NiO Nickel monoxide @@ -46611,11 +46611,11 @@ - + - - - + + + 12035-51-7 InChI=1/Ni.S2/c;1-2/q+2;-2 NiS2 @@ -46626,11 +46626,11 @@ - + - - - + + + 13463-39-3 InChI=1/4CO.Ni/c4*1-2; C4NiO4 @@ -46650,11 +46650,11 @@ - + - - - + + + 7440-03-1 InChI=1/Nb Nb @@ -46665,11 +46665,11 @@ - + - - - + + + 7783-68-8 F5Nb Niobium (V) fluoride @@ -46677,11 +46677,11 @@ - + - - - + + + 12034-57-0 InChI=1/Nb.O NbO @@ -46694,11 +46694,11 @@ - + - - - + + + 24621-21-4 InChI=1/N.Nb NNb @@ -46710,11 +46710,11 @@ - + - - - + + + 10026-12-7 InChI=1/5ClH.Nb/h5*1H;/q;;;;;+5/p-5 Cl5Nb @@ -46728,11 +46728,11 @@ - + - - - + + + 13597-20-1 InChI=1/3ClH.Nb.O/h3*1H;;/q;;;+3;/p-3 Cl3NbO @@ -46742,11 +46742,11 @@ - + - - - + + + 7697-37-2 InChI=1/HNO3/c2-1(3)4/h(H,2,3,4) HNO3 @@ -46778,11 +46778,11 @@ - + - - - + + + 10102-43-9 InChI=1/NO/c1-2 NO @@ -46796,11 +46796,11 @@ - + - - - + + + 7727-37-9 InChI=1/N2/c1-2 N2 @@ -46817,11 +46817,11 @@ - + - - - + + + 17778-88-0 InChI=1/N N @@ -46832,11 +46832,11 @@ - + - - - + + + 10102-44-0 InChI=1/NO2/c2-1-3 NO2 @@ -46858,11 +46858,11 @@ - + - - - + + + 10025-85-1 InChI=1/Cl3N/c1-4(2)3 Cl3N @@ -46877,11 +46877,11 @@ - + - - - + + + 7783-54-2 InChI=1/F3N/c1-4(2)3 F3N @@ -46898,11 +46898,11 @@ - + - - - + + + 12033-49-7 InChI=1/NO3/c2-1(3)4 NO3 @@ -46913,11 +46913,11 @@ - + - - - + + + 13444-87-6 InChI=1/BrNO/c1-2-3 BrNO @@ -46928,11 +46928,11 @@ - + - - - + + + 2696-92-6 InChI=1/ClNO/c1-2-3 ClNO @@ -46949,11 +46949,11 @@ - + - - - + + + 7789-25-5 InChI=1/FNO/c1-2-3 FNO @@ -46966,11 +46966,11 @@ - + - - - + + + 7782-77-6 InChI=1/HNO2/c2-1-3/h(H,2,3) HNO2 @@ -46984,11 +46984,11 @@ - + - - - + + + 10024-97-2 InChI=1/N2O/c1-2-3 N2O @@ -47010,11 +47010,11 @@ - + - - - + + + 13444-90-1 InChI=1/ClNO2/c1-2(3)4 ClNO2 @@ -47025,11 +47025,11 @@ - + - - - + + + 629-92-5 InChI=1/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3 C19H40 @@ -47039,11 +47039,11 @@ - + - - - + + + 646-30-0 InChI=1/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21) C19H38O2 @@ -47053,11 +47053,11 @@ - + - - - + + + 124-19-6 InChI=1/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3 C9H18O @@ -47084,11 +47084,11 @@ - + - - - + + + 111-84-2 InChI=1/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3 C9H20 @@ -47101,11 +47101,11 @@ - + - - - + + + 871-83-0 InChI=1/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3 C10H22 @@ -47115,11 +47115,11 @@ - + - - - + + + 15869-85-9 InChI=1/C10H22/c1-4-6-8-10(3)9-7-5-2/h10H,4-9H2,1-3H3 C10H22 @@ -47129,11 +47129,11 @@ - + - - - + + + 123-99-9 InChI=1/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) C9H16O4 @@ -47157,11 +47157,11 @@ - + - - - + + + 112-05-0 InChI=1/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) C9H18O2 @@ -47185,11 +47185,11 @@ - + - - - + + + 50623-57-9 InChI=1/C13H26O2/c1-3-5-7-8-9-10-11-13(14)15-12-6-4-2/h3-12H2,1-2H3 C13H26O2 @@ -47200,11 +47200,11 @@ - + - - - + + + 25154-52-3 InChI=1/C15H24O/c1-11(2)9-12(3)10-13(4)14-5-7-15(16)8-6-14/h5-8,11-13,16H,9-10H2,1-4H3 C15H24O @@ -47217,11 +47217,11 @@ - + - - - + + + 680-31-9 InChI=1/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3 C6H18N3OP @@ -47258,11 +47258,11 @@ - + - - - + + + 1656-48-0 InChI=1/C6H8N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2 C6H8N2O @@ -47287,11 +47287,11 @@ - + - - - + + + 630-02-4 InChI=1/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3 C28H58 @@ -47301,11 +47301,11 @@ - + - - - + + + 593-45-3 InChI=1/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3 C18H38 @@ -47316,11 +47316,11 @@ - + - - - + + + 57-11-4 InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) C18H36O2 @@ -47413,11 +47413,11 @@ - + - - - + + + 123-95-5 InChI=1/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3 C22H44O2 @@ -47459,11 +47459,11 @@ - + - - - + + + 115-25-3 InChI=1/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10 C4F8 @@ -47483,11 +47483,11 @@ - + - - - + + + 124-13-0 InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3 C8H16O @@ -47512,11 +47512,11 @@ - + - - - + + + 111-65-9 InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 C8H18 @@ -47531,11 +47531,11 @@ - + - - - + + + 629-82-3 InChI=1/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 C16H34O @@ -47552,11 +47552,11 @@ - + - - - + + + 2690-08-6 InChI=1/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 C16H34S @@ -47574,11 +47574,11 @@ - + - - - + + + 3221-61-2 InChI=1/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3 C9H20 @@ -47589,11 +47589,11 @@ - + - - - + + + 15869-87-1 InChI=1/C10H22/c1-5-6-7-8-9-10(2,3)4/h5-9H2,1-4H3 C10H22 @@ -47603,11 +47603,11 @@ - + - - - + + + 7146-60-3 InChI=1/C10H22/c1-5-6-7-8-10(4)9(2)3/h9-10H,5-8H2,1-4H3 C10H22 @@ -47617,11 +47617,11 @@ - + - - - + + + 15869-89-3 InChI=1/C10H22/c1-5-6-10(4)8-7-9(2)3/h9-10H,5-8H2,1-4H3 C10H22 @@ -47631,11 +47631,11 @@ - + - - - + + + 1072-16-8 InChI=1/C10H22/c1-9(2)7-5-6-8-10(3)4/h9-10H,5-8H2,1-4H3 C10H22 @@ -47647,11 +47647,11 @@ - + - - - + + + 2216-33-3 InChI=1/C9H20/c1-4-6-7-8-9(3)5-2/h9H,4-8H2,1-3H3 C9H20 @@ -47662,11 +47662,11 @@ - + - - - + + + 2216-34-4 InChI=1/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3 C9H20 @@ -47678,11 +47678,11 @@ - + - - - + + + 505-48-6 InChI=1/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) C8H14O4 @@ -47698,11 +47698,11 @@ - + - - - + + + 124-07-2 InChI=1/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) C8H16O2 @@ -47730,11 +47730,11 @@ - + - - - + + + 10544-50-0 InChI=1/S8/c1-2-4-6-8-7-5-3-1 S8 @@ -47754,11 +47754,11 @@ - + - - - + + + 2027-47-6 InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+ C18H34O2 @@ -47768,11 +47768,11 @@ - + - - - + + + 7440-04-2 InChI=1/Os Os @@ -47783,11 +47783,11 @@ - + - - - + + + 144-62-7 InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) C2H2O4 @@ -47809,11 +47809,11 @@ - + - - - + + + 288-42-6 InChI=1/C3H3NO/c1-2-5-3-4-1/h1-3H C3H3NO @@ -47823,11 +47823,11 @@ - + - - - + + + 503-30-0 InChI=1/C3H6O/c1-2-4-3-1/h1-3H2 C3H6O @@ -47846,11 +47846,11 @@ - + - - - + + + 558-30-5 InChI=1/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3 C4H8O @@ -47869,11 +47869,11 @@ - + - - - + + + 106-88-7 InChI=1/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3 C4H8O @@ -47900,11 +47900,11 @@ - + - - - + + + 7782-44-7 InChI=1/O2/c1-2 O2 @@ -47921,11 +47921,11 @@ - + - - - + + + 17778-80-2 InChI=1/O O @@ -47940,11 +47940,11 @@ - + - - - + + + 10028-15-6 InChI=1/O3/c1-3-2 O3 @@ -47956,11 +47956,11 @@ - + - - - + + + 104-15-4 InChI=1/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) C7H8O3S @@ -48002,11 +48002,11 @@ - + - - - + + + 137647-52-0 COP PCO @@ -48014,11 +48014,11 @@ - + - - - + + + 7440-05-3 InChI=1/Pd Pd @@ -48029,11 +48029,11 @@ - + - - - + + + 1314-08-5 InChI=1/O.Pd OPd @@ -48046,11 +48046,11 @@ - + - - - + + + 123-63-7 InChI=1/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3 C6H12O3 @@ -48082,11 +48082,11 @@ - + - - - + + + 354-56-3 InChI=1/C2Cl5F/c3-1(4,5)2(6,7)8 C2Cl5F @@ -48096,11 +48096,11 @@ - + - - - + + + 629-62-9 InChI=1/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3 C15H32 @@ -48111,11 +48111,11 @@ - + - - - + + + 1002-84-2 InChI=1/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17) C15H30O2 @@ -48128,11 +48128,11 @@ - + - - - + + + 78-11-5 InChI=1/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2 C5H8N4O12 @@ -48235,11 +48235,11 @@ - + - - - + + + 605-01-6 InChI=1/C16H26/c1-6-12-11-13(7-2)15(9-4)16(10-5)14(12)8-3/h11H,6-10H2,1-5H3 C16H26 @@ -48249,11 +48249,11 @@ - + - - - + + + 110-62-3 InChI=1/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 C5H10O @@ -48277,11 +48277,11 @@ - + - - - + + + 109-66-0 InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 C5H12 @@ -48299,11 +48299,11 @@ - + - - - + + + 543-59-9 InChI=1/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3 C5H11Cl @@ -48318,11 +48318,11 @@ - + - - - + + + 693-65-2 InChI=1/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3 C10H22O @@ -48343,11 +48343,11 @@ - + - - - + + + 107-83-5 InChI=1/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3 C6H14 @@ -48362,11 +48362,11 @@ - + - - - + + + 590-35-2 InChI=1/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3 C7H16 @@ -48376,11 +48376,11 @@ - + - - - + + + 564-02-3 InChI=1/C8H18/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3 C8H18 @@ -48391,11 +48391,11 @@ - + - - - + + + 7154-79-2 InChI=1/C9H20/c1-7-9(5,6)8(2,3)4/h7H2,1-6H3 C9H20 @@ -48405,11 +48405,11 @@ - + - - - + + + 1186-53-4 InChI=1/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3 C9H20 @@ -48419,11 +48419,11 @@ - + - - - + + + 540-84-1 InChI=1/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3 C8H18 @@ -48438,11 +48438,11 @@ - + - - - + + + 1070-87-7 InChI=1/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3 C9H20 @@ -48453,11 +48453,11 @@ - + - - - + + + 565-59-3 InChI=1/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3 C7H16 @@ -48468,11 +48468,11 @@ - + - - - + + + 560-21-4 InChI=1/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3 C8H18 @@ -48483,11 +48483,11 @@ - + - - - + + + 16747-38-9 InChI=1/C9H20/c1-7(2)9(5,6)8(3)4/h7-8H,1-6H3 C9H20 @@ -48497,11 +48497,11 @@ - + - - - + + + 565-75-3 InChI=1/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3 C8H18 @@ -48512,11 +48512,11 @@ - + - - - + + + 108-08-7 InChI=1/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3 C7H16 @@ -48526,11 +48526,11 @@ - + - - - + + + 617-78-7 InChI=1/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3 C7H16 @@ -48540,11 +48540,11 @@ - + - - - + + + 609-26-7 InChI=1/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3 C8H18 @@ -48555,11 +48555,11 @@ - + - - - + + + 16747-32-3 InChI=1/C9H20/c1-6-8(7-2)9(3,4)5/h8H,6-7H2,1-5H3 C9H20 @@ -48570,11 +48570,11 @@ - + - - - + + + 1068-87-7 InChI=1/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3 C9H20 @@ -48585,11 +48585,11 @@ - + - - - + + + 1067-08-9 InChI=1/C8H18/c1-5-8(4,6-2)7-3/h5-7H2,1-4H3 C8H18 @@ -48600,11 +48600,11 @@ - + - - - + + + 96-14-0 InChI=1/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3 C6H14 @@ -48617,11 +48617,11 @@ - + - - - + + + 760-21-4 InChI=1/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3 C6H12 @@ -48635,11 +48635,11 @@ - + - - - + + + 1067-20-5 InChI=1/C9H20/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3 C9H20 @@ -48650,11 +48650,11 @@ - + - - - + + + 562-49-2 InChI=1/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3 C7H16 @@ -48665,11 +48665,11 @@ - + - - - + + + 4553-62-2 InChI=1/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3 C6H8N2 @@ -48691,11 +48691,11 @@ - + - - - + + + 110-94-1 InChI=1/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) C5H8O4 @@ -48708,11 +48708,11 @@ - + - - - + + + 110-59-8 InChI=1/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3 C5H9N @@ -48730,11 +48730,11 @@ - + - - - + + + 109-52-4 InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) C5H10O2 @@ -48756,11 +48756,11 @@ - + - - - + + + 123-76-2 InChI=1/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) C5H8O3 @@ -48787,11 +48787,11 @@ - + - - - + + + 7601-90-3 InChI=1/ClHO4/c2-1(3,4)5/h(H,2,3,4,5) HClO4 @@ -48803,11 +48803,11 @@ - + - - - + + + 7616-94-6 InChI=1/ClFO3/c2-1(3,4)5 ClFO3 @@ -48824,11 +48824,11 @@ - + - - - + + + 360-89-4 InChI=1/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+ C4F8 @@ -48850,11 +48850,11 @@ - + - - - + + + 355-25-9 InChI=1/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14 C4F10 @@ -48867,11 +48867,11 @@ - + - - - + + + 355-02-2 InChI=1/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12 C7F14 @@ -48888,11 +48888,11 @@ - + - - - + + + 85-01-8 InChI=1/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H C14H10 @@ -48904,11 +48904,11 @@ - + - - - + + + 108-95-2 InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H C6H6O @@ -48954,11 +48954,11 @@ - + - - - + + + 90-00-6 InChI=1/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3 C8H10O @@ -48975,11 +48975,11 @@ - + - - - + + + 90-05-1 InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 C7H8O2 @@ -49010,11 +49010,11 @@ - + - - - + + + 95-48-7 InChI=1/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 C7H8O @@ -49037,11 +49037,11 @@ - + - - - + + + 526-75-0 InChI=1/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3 C8H10O @@ -49057,11 +49057,11 @@ - + - - - + + + 105-67-9 InChI=1/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3 C8H10O @@ -49080,11 +49080,11 @@ - + - - - + + + 95-87-4 InChI=1/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3 C8H10O @@ -49105,11 +49105,11 @@ - + - - - + + + 576-26-1 InChI=1/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3 C8H10O @@ -49126,11 +49126,11 @@ - + - - - + + + 108-43-0 InChI=1/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H C6H5ClO @@ -49146,11 +49146,11 @@ - + - - - + + + 108-39-4 InChI=1/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 C7H8O @@ -49176,11 +49176,11 @@ - + - - - + + + 95-65-8 InChI=1/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3 C8H10O @@ -49197,11 +49197,11 @@ - + - - - + + + 108-68-9 InChI=1/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3 C8H10O @@ -49218,11 +49218,11 @@ - + - - - + + + 80-46-6 InChI=1/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3 C11H16O @@ -49257,11 +49257,11 @@ - + - - - + + + 140-66-9 InChI=1/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3 C14H22O @@ -49279,11 +49279,11 @@ - + - - - + + + 123-07-9 InChI=1/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3 C8H10O @@ -49298,11 +49298,11 @@ - + - - - + + + 106-44-5 InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3 C7H8O @@ -49330,11 +49330,11 @@ - + - - - + + + 80-05-7 InChI=1/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 C15H16O2 @@ -49400,11 +49400,11 @@ - + - - - + + + 98-54-4 InChI=1/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3 C10H14O @@ -49429,11 +49429,11 @@ - + - - - + + + 98-13-5 InChI=1/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H C6H5Cl3Si @@ -49449,11 +49449,11 @@ - + - - - + + + 536-74-3 InChI=1/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H C8H6 @@ -49469,11 +49469,11 @@ - + - - - + + + 75-44-5 InChI=1/CCl2O/c2-1(3)4 CCl2O @@ -49503,11 +49503,11 @@ - + - - - + + + 7803-51-2 InChI=1/H3P/h1H3 H3P @@ -49531,11 +49531,11 @@ - + - - - + + + 603-35-0 InChI=1/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H C18H15P @@ -49552,11 +49552,11 @@ - + - - - + + + 7664-38-2 InChI=1/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) H3O4P @@ -49579,11 +49579,11 @@ - + - - - + + + 512-56-1 InChI=1/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3 C3H9O4P @@ -49602,11 +49602,11 @@ - + - - - + + + 7723-14-0 InChI=1/P P @@ -49625,11 +49625,11 @@ - + - - - + + + 12185-09-0 InChI=1/P2/c1-2 P2 @@ -49640,11 +49640,11 @@ - + - - - + + + 12164-97-5 InChI=1/O2P/c1-3-2 O2P @@ -49655,11 +49655,11 @@ - + - - - + + + 17739-47-8 InChI=1/NP/c1-2 NP @@ -49672,11 +49672,11 @@ - + - - - + + + 12137-64-3 PSi Phosphorus monosilicide @@ -49684,11 +49684,11 @@ - + - - - + + + 12281-36-6 PS Phosphorus monosulfide @@ -49696,11 +49696,11 @@ - + - - - + + + 14452-66-5 InChI=1/OP/c1-2 OP @@ -49711,11 +49711,11 @@ - + - - - + + + 10026-13-8 InChI=1/Cl5P/c1-6(2,3,4)5 Cl5P @@ -49738,11 +49738,11 @@ - + - - - + + + 7647-19-0 InChI=1/F5P/c1-6(2,3,4)5 F5P @@ -49757,11 +49757,11 @@ - + - - - + + + 12185-10-3 InChI=1/P4/c1-2-3(1)4(1)2 P4 @@ -49772,11 +49772,11 @@ - + - - - + + + 7789-60-8 InChI=1/Br3P/c1-4(2)3 Br3P @@ -49793,11 +49793,11 @@ - + - - - + + + 7789-59-5 InChI=1/Br3OP/c1-4-5(2)3 Br3OP @@ -49814,11 +49814,11 @@ - + - - - + + + 7719-12-2 InChI=1/Cl3P/c1-4(2)3 Cl3P @@ -49844,11 +49844,11 @@ - + - - - + + + 7783-55-3 InChI=1/F3P/c1-4(2)3 F3P @@ -49864,11 +49864,11 @@ - + - - - + + + 13455-01-1 InChI=1/I3P/c1-4(2)3 I3P @@ -49879,11 +49879,11 @@ - + - - - + + + 10025-87-3 InChI=1/Cl3OP/c1-5(2,3)4 Cl3OP @@ -49910,11 +49910,11 @@ - + - - - + + + 85-44-9 InChI=1/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H C8H4O3 @@ -49955,11 +49955,11 @@ - + - - - + + + 110-85-0 InChI=1/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2 C4H10N2 @@ -49995,11 +49995,11 @@ - + - - - + + + 110-89-4 InChI=1/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2 C5H11N @@ -50020,11 +50020,11 @@ - + - - - + + + 75-98-9 InChI=1/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7) C5H10O2 @@ -50046,11 +50046,11 @@ - + - - - + + + 7440-06-4 InChI=1/Pt Pt @@ -50066,11 +50066,11 @@ - + - - - + + + 1314-15-4 InChI=1/2O.Pt O2Pt @@ -50087,11 +50087,11 @@ - + - - - + + + 7440-07-5 InChI=1/Pu Pu @@ -50101,11 +50101,11 @@ - + - - - + + + 13693-06-6 InChI=1/6FH.Pu/h6*1H;/q;;;;;;+6/p-6 F6Pu @@ -50114,11 +50114,11 @@ - + - - - + + + 13709-56-3 InChI=1/4FH.Pu/h4*1H;/q;;;;+4/p-4 F4Pu @@ -50127,11 +50127,11 @@ - + - - - + + + 13842-83-6 InChI=1/3FH.Pu/h3*1H;/q;;;+3/p-3 F3Pu @@ -50140,11 +50140,11 @@ - + - - - + + + 7440-09-7 InChI=1/K K @@ -50158,11 +50158,11 @@ - + - - - + + + 127-08-2 InChI=1/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 C2H3KO2 @@ -50211,11 +50211,11 @@ - + - - - + + + 12007-40-8 B6K2O10 Potassium borate @@ -50223,11 +50223,11 @@ - + - - - + + + 11127-10-9 Br2K2 Potassium bromide @@ -50235,11 +50235,11 @@ - + - - - + + + 7447-40-7 InChI=1/ClH.K/h1H;/q;+1/p-1 ClK @@ -50323,11 +50323,11 @@ - + - - - + + + 151-50-8 InChI=1/CN.K/c1-2; CKN @@ -50345,11 +50345,11 @@ - + - - - + + + 55186-08-8 InChI=1/2CN.2K/c2*1-2;; C2K2N2 @@ -50360,11 +50360,11 @@ - + - - - + + + 7789-23-3 InChI=1/FH.K/h1H;/q;+1/p-1 FK @@ -50378,11 +50378,11 @@ - + - - - + + + 13782-08-6 InChI=1/Al.6ClH.3K/h;6*1H;;;/q+3;;;;;;;3*+1/p-6 AlCl6K3 @@ -50392,11 +50392,11 @@ - + - - - + + + 13775-52-5 InChI=1/Al.6FH.3K/h;6*1H;;;/q+3;;;;;;;3*+1/p-6 AlF6K3 @@ -50408,11 +50408,11 @@ - + - - - + + + 7693-26-7 InChI=1/K.H HK @@ -50423,11 +50423,11 @@ - + - - - + + + 12395-66-3 H2K2O2 Potassium hydroxide @@ -50435,11 +50435,11 @@ - + - - - + + + 7681-11-0 InChI=1/HI.K/h1H;/q;+1/p-1 IK @@ -50471,11 +50471,11 @@ - + - - - + + + 13709-94-9 InChI=1/BO2.K/c2-1-3;/q-1;+1 BKO2 @@ -50488,11 +50488,11 @@ - + - - - + + + 7778-74-7 InChI=1/ClHO4.K/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1 ClKO4 @@ -50514,11 +50514,11 @@ - + - - - + + + 17014-71-0 InChI=1/2K.O2/c;;1-2/q2*+1;-2 K2O2 @@ -50530,11 +50530,11 @@ - + - - - + + + 7778-80-5 InChI=1/2K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2 K2O4S @@ -50553,11 +50553,11 @@ - + - - - + + + 1312-73-8 InChI=1/2K.S K2S @@ -50574,11 +50574,11 @@ - + - - - + + + 12030-88-5 InChI=1/K.O2/c;1-2/q+2;-2 KO2 @@ -50592,11 +50592,11 @@ - + - - - + + + 13821-13-1 InChI=1/Al.2ClH.2Cl.K/h;2*1H;;;/q+2;;;;;/p-2 AlCl4K @@ -50606,11 +50606,11 @@ - + - - - + + + 7440-10-0 InChI=1/Pr Pr @@ -50620,11 +50620,11 @@ - + - - - + + + 12036-05-4 O2Pr Praseodymium dioxide @@ -50632,11 +50632,11 @@ - + - - - + + + 10361-79-2 InChI=1/3ClH.Pr/h3*1H;/q;;;+3/p-3 Cl3Pr @@ -50649,11 +50649,11 @@ - + - - - + + + 13709-46-1 F3Pr Praseodymium trifluoride @@ -50661,11 +50661,11 @@ - + - - - + + + 13813-23-5 InChI=1/3HI.Pr/h3*1H;/q;;;+3/p-3 I3Pr @@ -50677,11 +50677,11 @@ - + - - - + + + 123-38-6 InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3 C3H6O @@ -50709,11 +50709,11 @@ - + - - - + + + 78-84-2 InChI=1/C4H8O/c1-4(2)3-5/h3-4H,1-2H3 C4H8O @@ -50743,11 +50743,11 @@ - + - - - + + + 74-98-6 InChI=1/C3H8/c1-3-2/h3H2,1-2H3 C3H8 @@ -50768,11 +50768,11 @@ - + - - - + + + 2163-42-0 InChI=1/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3 C4H10O2 @@ -50783,11 +50783,11 @@ - + - - - + + + 106-94-5 InChI=1/C3H7Br/c1-2-3-4/h2-3H2,1H3 C3H7Br @@ -50802,11 +50802,11 @@ - + - - - + + + 540-54-5 InChI=1/C3H7Cl/c1-2-3-4/h2-3H2,1H3 C3H7Cl @@ -50821,11 +50821,11 @@ - + - - - + + + 513-36-0 InChI=1/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3 C4H9Cl @@ -50837,11 +50837,11 @@ - + - - - + + + 628-32-0 InChI=1/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3 C5H12O @@ -50857,11 +50857,11 @@ - + - - - + + + 107-08-4 InChI=1/C3H7I/c1-2-3-4/h2-3H2,1H3 C3H7I @@ -50875,11 +50875,11 @@ - + - - - + + + 108-03-2 InChI=1/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3 C3H7NO2 @@ -50894,11 +50894,11 @@ - + - - - + + + 78-99-9 InChI=1/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3 C3H6Cl2 @@ -50909,11 +50909,11 @@ - + - - - + + + 598-03-8 InChI=1/C6H14O2S/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3 C6H14O2S @@ -50929,11 +50929,11 @@ - + - - - + + + 111-47-7 InChI=1/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3 C6H14S @@ -50954,11 +50954,11 @@ - + - - - + + + 78-87-5 InChI=1/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3 C3H6Cl2 @@ -50984,11 +50984,11 @@ - + - - - + + + 96-18-4 InChI=1/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2 C3H5Cl3 @@ -51004,11 +51004,11 @@ - + - - - + + + 142-28-9 InChI=1/C3H6Cl2/c4-2-1-3-5/h1-3H2 C3H6Cl2 @@ -51020,11 +51020,11 @@ - + - - - + + + 75-26-3 InChI=1/C3H7Br/c1-3(2)4/h3H,1-2H3 C3H7Br @@ -51038,11 +51038,11 @@ - + - - - + + + 75-29-6 InChI=1/C3H7Cl/c1-3(2)4/h3H,1-2H3 C3H7Cl @@ -51060,11 +51060,11 @@ - + - - - + + + 507-20-0 InChI=1/C4H9Cl/c1-4(2,3)5/h1-3H3 C4H9Cl @@ -51083,11 +51083,11 @@ - + - - - + + + 625-54-7 InChI=1/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3 C5H12O @@ -51100,11 +51100,11 @@ - + - - - + + + 637-92-3 InChI=1/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3 C6H14O @@ -51120,11 +51120,11 @@ - + - - - + + + 75-30-9 InChI=1/C3H7I/c1-3(2)4/h3H,1-2H3 C3H7I @@ -51141,11 +51141,11 @@ - + - - - + + + 598-53-8 InChI=1/C4H10O/c1-4(2)5-3/h4H,1-3H3 C4H10O @@ -51160,11 +51160,11 @@ - + - - - + + + 1634-04-4 InChI=1/C5H12O/c1-5(2,3)6-4/h1-4H3 C5H12O @@ -51184,11 +51184,11 @@ - + - - - + + + 6163-64-0 InChI=1/C5H12S/c1-5(2,3)6-4/h1-4H3 C5H12S @@ -51206,11 +51206,11 @@ - + - - - + + + 79-46-9 InChI=1/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3 C3H7NO2 @@ -51231,11 +51231,11 @@ - + - - - + + + 463-82-1 InChI=1/C5H12/c1-5(2,3)4/h1-4H3 C5H12 @@ -51254,11 +51254,11 @@ - + - - - + + + 76-19-7 InChI=1/C3F8/c4-1(5,2(6,7)8)3(9,10)11 C3F8 @@ -51275,11 +51275,11 @@ - + - - - + + + 105-53-3 InChI=1/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3 C7H12O4 @@ -51296,11 +51296,11 @@ - + - - - + + + 107-12-0 InChI=1/C3H5N/c1-2-3-4/h2H2,1H3 C3H5N @@ -51324,11 +51324,11 @@ - + - - - + + + 109-78-4 InChI=1/C3H5NO/c4-2-1-3-5/h5H,1,3H2 C3H5NO @@ -51358,11 +51358,11 @@ - + - - - + + + 78-97-7 InChI=1/C3H5NO/c1-3(5)2-4/h3,5H,1H3 C3H5NO @@ -51380,11 +51380,11 @@ - + - - - + + + 75-86-5 InChI=1/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3 C4H7NO @@ -51415,11 +51415,11 @@ - + - - - + + + 78-82-0 InChI=1/C4H7N/c1-4(2)3-5/h4H,1-2H3 C4H7N @@ -51440,11 +51440,11 @@ - + - - - + + + 79-09-4 InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) C3H6O2 @@ -51475,11 +51475,11 @@ - + - - - + + + 97-64-3 InChI=1/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3 C5H10O3 @@ -51502,11 +51502,11 @@ - + - - - + + + 547-64-8 InChI=1/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3 C4H8O3 @@ -51520,11 +51520,11 @@ - + - - - + + + 79-31-2 InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) C4H8O2 @@ -51548,11 +51548,11 @@ - + - - - + + + 97-85-8 InChI=1/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3 C8H16O2 @@ -51571,11 +51571,11 @@ - + - - - + + + 97-62-1 InChI=1/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3 C6H12O2 @@ -51594,11 +51594,11 @@ - + - - - + + + 547-63-7 InChI=1/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3 C5H10O2 @@ -51615,11 +51615,11 @@ - + - - - + + + 123-62-6 InChI=1/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3 C6H10O3 @@ -51636,11 +51636,11 @@ - + - - - + + + 590-01-2 InChI=1/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3 C7H14O2 @@ -51657,11 +51657,11 @@ - + - - - + + + 105-38-4 InChI=1/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3 C5H8O2 @@ -51673,11 +51673,11 @@ - + - - - + + + 105-37-3 InChI=1/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3 C5H10O2 @@ -51698,11 +51698,11 @@ - + - - - + + + 554-12-1 InChI=1/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3 C4H8O2 @@ -51720,11 +51720,11 @@ - + - - - + + + 106-36-5 InChI=1/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3 C6H12O2 @@ -51742,11 +51742,11 @@ - + - - - + + + 115-07-1 InChI=1/C3H6/c1-3-2/h3H,1H2,2H3 C3H6 @@ -51765,11 +51765,11 @@ - + - - - + + + 677-21-4 InChI=1/C3H3F3/c1-2-3(4,5)6/h2H,1H2 C3H3F3 @@ -51785,11 +51785,11 @@ - + - - - + + + 116-15-4 InChI=1/C3F6/c4-1(2(5)6)3(7,8)9 C3F6 @@ -51808,11 +51808,11 @@ - + - - - + + + 763-69-9 InChI=1/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3 C7H14O3 @@ -51832,11 +51832,11 @@ - + - - - + + + 108-32-7 InChI=1/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3 C4H6O3 @@ -51868,11 +51868,11 @@ - + - - - + + + 75-56-9 InChI=1/C3H6O/c1-3-2-4-3/h3H,2H2,1H3 C3H6O @@ -51902,11 +51902,11 @@ - + - - - + + + 74-99-7 InChI=1/C3H4/c1-3-2/h1H,2H3 C3H4 @@ -51921,11 +51921,11 @@ - + - - - + + + 7440-13-3 InChI=1/Pa Pa @@ -51935,11 +51935,11 @@ - + - - - + + + 290-37-9 InChI=1/C4H4N2/c1-2-6-4-3-5-1/h1-4H C4H4N2 @@ -51953,11 +51953,11 @@ - + - - - + + + 129-00-0 InChI=1/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H C16H10 @@ -51970,11 +51970,11 @@ - + - - - + + + 289-80-5 InChI=1/C4H4N2/c1-2-4-6-5-3-1/h1-4H C4H4N2 @@ -51986,11 +51986,11 @@ - + - - - + + + 110-86-1 InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5H C5H5N @@ -52008,11 +52008,11 @@ - + - - - + + + 109-06-8 InChI=1/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3 C6H7N @@ -52031,11 +52031,11 @@ - + - - - + + + 583-61-9 InChI=1/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3 C7H9N @@ -52046,11 +52046,11 @@ - + - - - + + + 108-75-8 InChI=1/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3 C8H11N @@ -52069,11 +52069,11 @@ - + - - - + + + 589-93-5 InChI=1/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3 C7H9N @@ -52085,11 +52085,11 @@ - + - - - + + + 108-48-5 InChI=1/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3 C7H9N @@ -52106,11 +52106,11 @@ - + - - - + + + 108-99-6 InChI=1/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3 C6H7N @@ -52127,11 +52127,11 @@ - + - - - + + + 583-58-4 InChI=1/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3 C7H9N @@ -52143,11 +52143,11 @@ - + - - - + + + 591-22-0 InChI=1/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3 C7H9N @@ -52158,11 +52158,11 @@ - + - - - + + + 108-89-4 InChI=1/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3 C6H7N @@ -52181,11 +52181,11 @@ - + - - - + + + 109-97-7 InChI=1/C4H5N/c1-2-4-5-3-1/h1-5H C4H5N @@ -52205,11 +52205,11 @@ - + - - - + + + 123-75-1 InChI=1/C4H9N/c1-2-4-5-3-1/h5H,1-4H2 C4H9N @@ -52228,11 +52228,11 @@ - + - - - + + + 120-94-5 InChI=1/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3 C5H11N @@ -52247,11 +52247,11 @@ - + - - - + + + 127-17-3 InChI=1/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) C3H4O3 @@ -52268,11 +52268,11 @@ - + - - - + + + 91-22-5 InChI=1/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H C9H7N @@ -52296,11 +52296,11 @@ - + - - - + + + 91-63-4 InChI=1/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3 C10H9N @@ -52315,11 +52315,11 @@ - + - - - + + + 108-46-3 InChI=1/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H C6H6O2 @@ -52363,11 +52363,11 @@ - + - - - + + + 7440-15-5 InChI=1/Re Re @@ -52377,11 +52377,11 @@ - + - - - + + + 1314-28-9 InChI=1/3O.Re O3Re @@ -52394,11 +52394,11 @@ - + - - - + + + 7440-16-6 InChI=1/Rh Rh @@ -52411,11 +52411,11 @@ - + - - - + + + 12137-27-8 InChI=1/2O.Rh O2Rh @@ -52428,11 +52428,11 @@ - + - - - + + + 7440-17-7 InChI=1/Rb Rb @@ -52443,11 +52443,11 @@ - + - - - + + + 7789-39-1 InChI=1/BrH.Rb/h1H;/q;+1/p-1 BrRb @@ -52458,11 +52458,11 @@ - + - - - + + + 7791-11-9 InChI=1/ClH.Rb/h1H;/q;+1/p-1 ClRb @@ -52474,11 +52474,11 @@ - + - - - + + + 13446-74-7 InChI=1/FH.Rb/h1H;/q;+1/p-1 FRb @@ -52489,11 +52489,11 @@ - + - - - + + + 7790-29-6 InChI=1/HI.Rb/h1H;/q;+1/p-1 IRb @@ -52505,11 +52505,11 @@ - + - - - + + + 7440-18-8 InChI=1/Ru Ru @@ -52521,11 +52521,11 @@ - + - - - + + + 12036-10-1 O2Ru Ruthenium dioxide @@ -52533,11 +52533,11 @@ - + - - - + + + 12036-36-1 InChI=1/3O.Ru O3Ru @@ -52547,11 +52547,11 @@ - + - - - + + + 66106-90-9 I2S SI2 @@ -52559,11 +52559,11 @@ - + - - - + + + 7440-19-9 InChI=1/Sm Sm @@ -52573,11 +52573,11 @@ - + - - - + + + 13874-75-4 Cl2Sm Samarium chloride @@ -52585,11 +52585,11 @@ - + - - - + + + 10361-82-7 InChI=1/3ClH.Sm/h3*1H;/q;;;+3/p-3 Cl3Sm @@ -52602,11 +52602,11 @@ - + - - - + + + 7440-20-2 InChI=1/Sc Sc @@ -52616,11 +52616,11 @@ - + - - - + + + 13709-47-2 InChI=1/3FH.Sc/h3*1H;/q;;;+3/p-3 F3Sc @@ -52631,11 +52631,11 @@ - + - - - + + + 12597-24-9 Se3 Se3 @@ -52643,11 +52643,11 @@ - + - - - + + + 35996-94-2 Se4 Se4 @@ -52655,11 +52655,11 @@ - + - - - + + + 40678-55-5 F5Se SeF5 @@ -52667,11 +52667,11 @@ - + - - - + + + 589-40-2 InChI=1/C5H10O2/c1-3-5(2)7-4-6/h4-5H,3H2,1-2H3 C5H10O2 @@ -52684,11 +52684,11 @@ - + - - - + + + 7782-49-2 InChI=1/Se Se @@ -52711,11 +52711,11 @@ - + - - - + + + 22987-45-7 InChI=1/Br2Se/c1-3-2 Br2Se @@ -52725,11 +52725,11 @@ - + - - - + + + 14457-70-6 InChI=1/Cl2Se/c1-3-2 Cl2Se @@ -52739,11 +52739,11 @@ - + - - - + + + 70421-43-1 InChI=1/F2Se/c1-3-2 F2Se @@ -52752,11 +52752,11 @@ - + - - - + + + 12185-17-0 InChI=1/Se2/c1-2 Se2 @@ -52767,11 +52767,11 @@ - + - - - + + + 7446-08-4 InChI=1/O2Se/c1-3-2 O2Se @@ -52789,11 +52789,11 @@ - + - - - + + + 7783-79-1 InChI=1/F6Se/c1-7(2,3,4,5)6 F6Se @@ -52805,11 +52805,11 @@ - + - - - + + + 12597-30-7 InChI=1/Se6/c1-2-4-6-5-3-1 Se6 @@ -52820,11 +52820,11 @@ - + - - - + + + 12640-89-0 OSe Selenium oxide @@ -52832,11 +52832,11 @@ - + - - - + + + 12597-28-3 InChI=1/Se5/c1-2-4-5-3-1 Se5 @@ -52845,11 +52845,11 @@ - + - - - + + + 10026-03-6 Cl4Se Selenium tetrachloride @@ -52857,11 +52857,11 @@ - + - - - + + + 13465-66-2 InChI=1/F4Se/c1-5(2,3)4 F4Se @@ -52871,11 +52871,11 @@ - + - - - + + + 999-97-3 InChI=1/C6H19NSi2/c1-8(2,3)7-9(4,5)6/h7H,1-6H3 C6H19NSi2 @@ -52892,11 +52892,11 @@ - + - - - + + + 7803-62-5 InChI=1/H4Si/h1H4 H4Si @@ -52912,11 +52912,11 @@ - + - - - + + + 75-94-5 InChI=1/C2H3Cl3Si/c1-2-6(3,4)5/h2H,1H2 C2H3Cl3Si @@ -52943,11 +52943,11 @@ - + - - - + + + 1066-35-9 InChI=1/C2H7ClSi/c1-4(2)3/h4H,1-2H3 C2H7ClSi @@ -52960,11 +52960,11 @@ - + - - - + + + 75-77-4 InChI=1/C3H9ClSi/c1-5(2,3)4/h1-3H3 C3H9ClSi @@ -52986,11 +52986,11 @@ - + - - - + + + 75-78-5 InChI=1/C2H6Cl2Si/c1-5(2,3)4/h1-2H3 C2H6Cl2Si @@ -53007,11 +53007,11 @@ - + - - - + + + 149-74-6 InChI=1/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3 C7H8Cl2Si @@ -53026,11 +53026,11 @@ - + - - - + + + 1112-39-6 InChI=1/C4H12O2Si/c1-5-7(3,4)6-2/h1-4H3 C4H12O2Si @@ -53043,11 +53043,11 @@ - + - - - + + + 1111-74-6 InChI=1/C2H8Si/c1-3-2/h3H2,1-2H3 C2H8Si @@ -53059,11 +53059,11 @@ - + - - - + + + 992-94-9 InChI=1/CH6Si/c1-2/h1-2H3 CH6Si @@ -53075,11 +53075,11 @@ - + - - - + + + 10026-04-7 InChI=1/Cl4Si/c1-5(2,3)4 Cl4Si @@ -53105,11 +53105,11 @@ - + - - - + + + 631-36-7 InChI=1/C8H20Si/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3 C8H20Si @@ -53121,11 +53121,11 @@ - + - - - + + + 75-76-3 InChI=1/C4H12Si/c1-5(2,3)4/h1-4H3 C4H12Si @@ -53142,11 +53142,11 @@ - + - - - + + + 75-79-6 InChI=1/CH3Cl3Si/c1-5(2,3)4/h1H3 CH3Cl3Si @@ -53168,11 +53168,11 @@ - + - - - + + + 993-07-7 InChI=1/C3H10Si/c1-4(2)3/h4H,1-3H3 C3H10Si @@ -53184,11 +53184,11 @@ - + - - - + + + 12597-37-4 Si3 Silicon @@ -53196,11 +53196,11 @@ - + - - - + + + 13465-84-4 InChI=1/I4Si/c1-5(2,3)4 I4Si @@ -53214,11 +53214,11 @@ - + - - - + + + 60676-86-0 InChI=1/O2Si/c1-3-2 O2Si @@ -53244,11 +53244,11 @@ - + - - - + + + 409-21-2 InChI=1/CH4Si/c1-2/h1-2H2 CSi @@ -53274,11 +53274,11 @@ - + - - - + + + 12504-41-5 InChI=1/HSSi/c1-2/h2H SSi @@ -53289,11 +53289,11 @@ - + - - - + + + 10097-28-6 InChI=1/OSi/c1-2 OSi @@ -53307,11 +53307,11 @@ - + - - - + + + 7789-66-4 InChI=1/Br4Si/c1-5(2,3)4 Br4Si @@ -53324,11 +53324,11 @@ - + - - - + + + 7783-61-1 InChI=1/F4Si/c1-5(2,3)4 F4Si @@ -53343,11 +53343,11 @@ - + - - - + + + 7440-22-4 InChI=1/Ag Ag @@ -53366,11 +53366,11 @@ - + - - - + + + 7785-23-1 InChI=1/Ag.BrH/h;1H/q+1;/p-1 AgBr @@ -53382,11 +53382,11 @@ - + - - - + + + 7783-90-6 InChI=1/Ag.ClH/h;1H/q+1;/p-1 AgCl @@ -53399,11 +53399,11 @@ - + - - - + + + 506-64-9 CAgN Silver cyanide @@ -53411,11 +53411,11 @@ - + - - - + + + 7783-96-2 InChI=1/Ag.HI/h;1H/q+1;/p-1 AgI @@ -53426,11 +53426,11 @@ - + - - - + + + 7775-41-9 InChI=1/Ag.FH/h;1H/q+1;/p-1 AgF @@ -53449,11 +53449,11 @@ - + - - - + + + 13774-94-2 InChI=1/HSi/h1H HSi @@ -53464,11 +53464,11 @@ - + - - - + + + 11128-24-8 InChI=1/FSi/c1-2 FSi @@ -53480,11 +53480,11 @@ - + - - - + + + 7440-23-5 InChI=1/Na Na @@ -53500,11 +53500,11 @@ - + - - - + + + 1302-42-7 InChI=1/Al.Na.2O AlNaO2 @@ -53522,11 +53522,11 @@ - + - - - + + + 12007-42-0 B6Na2O10 Sodium borate @@ -53534,11 +53534,11 @@ - + - - - + + + 12431-56-0 InChI=1/2Br.2Na Br2Na2 @@ -53548,11 +53548,11 @@ - + - - - + + + 497-19-8 InChI=1/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2 CNa2O3 @@ -53590,11 +53590,11 @@ - + - - - + + + 7647-14-5 InChI=1/ClH.Na/h1H;/q;+1/p-1 ClNa @@ -53653,11 +53653,11 @@ - + - - - + + + 143-33-9 InChI=1/CN.Na/c1-2; CNNa @@ -53676,11 +53676,11 @@ - + - - - + + + 7681-49-4 InChI=1/FH.Na/h1H;/q;+1/p-1 FNa @@ -53789,11 +53789,11 @@ - + - - - + + + 60172-46-5 InChI=1/Al.6ClH.3Na/h;6*1H;;;/q+3;;;;;;;3*+1/p-6 AlCl6Na3 @@ -53803,11 +53803,11 @@ - + - - - + + + 15780-28-6 DNa Sodium hydride @@ -53815,11 +53815,11 @@ - + - - - + + + 1310-73-2 InChI=1/Na.H2O/h;1H2/q+1;/p-1 HNaO @@ -53853,11 +53853,11 @@ - + - - - + + + 7681-82-5 InChI=1/HI.Na/h1H;/q;+1/p-1 INa @@ -53876,11 +53876,11 @@ - + - - - + + + 7775-19-1 InChI=1/BO2.Na/c2-1-3;/q-1;+1 BNaO2 @@ -53896,11 +53896,11 @@ - + - - - + + + 141-53-7 InChI=1/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1 CHNaO2 @@ -53918,11 +53918,11 @@ - + - - - + + + 13472-30-5 Na4O4Si Sodium orthosilicate @@ -53930,11 +53930,11 @@ - + - - - + + + 7601-89-0 InChI=1/ClHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1 ClNaO4 @@ -53952,11 +53952,11 @@ - + - - - + + + 1313-60-6 InChI=1/2Na.O2/c;;1-2/q2*+1;-2 Na2O2 @@ -53978,11 +53978,11 @@ - + - - - + + + 13870-28-5 Na2O5Si2 Sodium silicate @@ -53990,11 +53990,11 @@ - + - - - + + + 7757-82-6 InChI=1/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2 Na2O4S @@ -54025,11 +54025,11 @@ - + - - - + + + 1313-82-2 InChI=1/2Na.S Na2S @@ -54048,11 +54048,11 @@ - + - - - + + + 12034-12-7 InChI=1/Na.O2/c;1-2/q+2;-2 NaO2 @@ -54063,11 +54063,11 @@ - + - - - + + + 7784-16-9 InChI=1/Al.2ClH.2Cl.Na/h;2*1H;;;/q+2;;;;;/p-2 AlCl4Na @@ -54079,11 +54079,11 @@ - + - - - + + + 13472-45-2 InChI=1/2Na.4O.W/q2*+1;;;2*-1; Na2O4W @@ -54099,11 +54099,11 @@ - + - - - + + + 50-70-4 InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m0/s1 C6H14O6 @@ -54166,11 +54166,11 @@ - + - - - + + + 7803-52-3 InChI=1/Sb.3H H3Sb @@ -54186,11 +54186,11 @@ - + - - - + + + 7440-24-6 InChI=1/Sr Sr @@ -54200,11 +54200,11 @@ - + - - - + + + 10476-81-0 InChI=1/2BrH.Sr/h2*1H;/q;;+2/p-2 Br2Sr @@ -54216,11 +54216,11 @@ - + - - - + + + 10476-85-4 InChI=1/2ClH.Sr/h2*1H;/q;;+2/p-2 Cl2Sr @@ -54234,11 +54234,11 @@ - + - - - + + + 10476-86-5 InChI=1/2HI.Sr/h2*1H;/q;;+2/p-2 I2Sr @@ -54251,11 +54251,11 @@ - + - - - + + + 7783-48-4 InChI=1/2FH.Sr/h2*1H;/q;;+2/p-2 F2Sr @@ -54266,11 +54266,11 @@ - + - - - + + + 18480-07-4 InChI=1/2H2O.Sr/h2*1H2;/q;;+2/p-2 H2O2Sr @@ -54281,11 +54281,11 @@ - + - - - + + + 14519-13-2 BrSr Strontium monobromide @@ -54293,11 +54293,11 @@ - + - - - + + + 14989-33-4 ClSr Strontium monochloride @@ -54305,11 +54305,11 @@ - + - - - + + + 12141-14-9 InChI=1/H2O.Sr/h1H2;/q;+1/p-1 HOSr @@ -54320,11 +54320,11 @@ - + - - - + + + 1314-11-0 InChI=1/O.Sr OSr @@ -54337,11 +54337,11 @@ - + - - - + + + 1314-96-1 InChI=1/S.Sr SSr @@ -54352,11 +54352,11 @@ - + - - - + + + 13470-04-7 InChI=1/Mn.4O.Sr MoO4Sr @@ -54367,11 +54367,11 @@ - + - - - + + + 13451-05-3 O4SrW Strontium tetraoxotungstate @@ -54379,11 +54379,11 @@ - + - - - + + + 100-42-5 InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 C8H8 @@ -54423,11 +54423,11 @@ - + - - - + + + 1746-23-2 InChI=1/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3 C12H16 @@ -54442,11 +54442,11 @@ - + - - - + + + 110-61-2 InChI=1/C4H4N2/c5-3-1-2-4-6/h1-2H2 C4H4N2 @@ -54477,11 +54477,11 @@ - + - - - + + + 57-50-1 InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2 C12H22O11 @@ -54517,11 +54517,11 @@ - + - - - + + + 7704-34-9 InChI=1/S S @@ -54641,11 +54641,11 @@ - + - - - + + + 14989-32-3 ClS Sulfur chloride @@ -54653,11 +54653,11 @@ - + - - - + + + 14312-20-0 InChI=1/Br2S/c1-3-2 Br2S @@ -54666,11 +54666,11 @@ - + - - - + + + 10545-99-0 InChI=1/Cl2S/c1-3-2 Cl2S @@ -54694,11 +54694,11 @@ - + - - - + + + 13814-25-0 InChI=1/F2S/c1-3-2 F2S @@ -54709,11 +54709,11 @@ - + - - - + + + 23550-45-0 InChI=1/S2/c1-2 S2 @@ -54724,11 +54724,11 @@ - + - - - + + + 7446-09-5 InChI=1/O2S/c1-3-2 O2S @@ -54751,11 +54751,11 @@ - + - - - + + + 5714-22-7 InChI=1/F10S2/c1-11(2,3,4,5)12(6,7,8,9)10 F10S2 @@ -54769,11 +54769,11 @@ - + - - - + + + 2551-62-4 InChI=1/F6S/c1-7(2,3,4,5)6 F6S @@ -54789,11 +54789,11 @@ - + - - - + + + 13798-23-7 InChI=1/S6/c1-2-4-6-5-3-1 S6 @@ -54807,11 +54807,11 @@ - + - - - + + + 13827-32-2 InChI=1/OS/c1-2 OS @@ -54822,11 +54822,11 @@ - + - - - + + + 10546-01-7 InChI=1/F5S/c1-6(2,3,4)5 F5S @@ -54837,11 +54837,11 @@ - + - - - + + + 12597-10-3 InChI=1/S5/c1-2-4-5-3-1 S5 @@ -54852,11 +54852,11 @@ - + - - - + + + 7783-60-0 InChI=1/F4S/c1-5(2,3)4 F4S @@ -54871,11 +54871,11 @@ - + - - - + + + 30937-38-3 InChI=1/F3S/c1-4(2)3 F3S @@ -54886,11 +54886,11 @@ - + - - - + + + 12597-03-4 InChI=1/S3/c1-3-2 S3 @@ -54901,11 +54901,11 @@ - + - - - + + + 7446-11-9 InChI=1/O3S/c1-4(2)3 O3S @@ -54921,11 +54921,11 @@ - + - - - + + + 7664-93-9 InChI=1/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4) H2O4S @@ -54960,11 +54960,11 @@ - + - - - + + + 64-67-5 InChI=1/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3 C4H10O4S @@ -54982,11 +54982,11 @@ - + - - - + + + 77-78-1 InChI=1/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3 C2H6O4S @@ -55014,11 +55014,11 @@ - + - - - + + + 623-81-4 InChI=1/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3 C4H10O3S @@ -55034,11 +55034,11 @@ - + - - - + + + 7791-25-5 InChI=1/Cl2O2S/c1-5(2,3)4 Cl2O2S @@ -55054,11 +55054,11 @@ - + - - - + + + 2699-79-8 InChI=1/F2O2S/c1-5(2,3)4 F2O2S @@ -55078,11 +55078,11 @@ - + - - - + + + 7440-25-7 InChI=1/Ta Ta @@ -55094,11 +55094,11 @@ - + - - - + + + 1314-61-0 InChI=1/5O.2Ta O5Ta2 @@ -55113,11 +55113,11 @@ - + - - - + + + 12036-14-5 InChI=1/2O.Ta O2Ta @@ -55128,11 +55128,11 @@ - + - - - + + + 12035-90-4 OTa Tantalum monoxide @@ -55140,11 +55140,11 @@ - + - - - + + + 7721-01-9 InChI=1/5ClH.Ta/h5*1H;/q;;;;;+5/p-5 Cl5Ta @@ -55157,11 +55157,11 @@ - + - - - + + + 7783-71-3 InChI=1/5FH.Ta/h5*1H;/q;;;;;+5/p-5 F5Ta @@ -55174,11 +55174,11 @@ - + - - - + + + 133-37-9 InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10) C4H6O6 @@ -55205,11 +55205,11 @@ - + - - - + + + 15192-26-4 F4Te TeF4 radical @@ -55217,11 +55217,11 @@ - + - - - + + + 40678-56-6 F5Te TeF5 @@ -55229,11 +55229,11 @@ - + - - - + + + 7440-26-8 InChI=1/Tc Tc @@ -55243,11 +55243,11 @@ - + - - - + + + 13494-80-9 Te Tellurium @@ -55255,11 +55255,11 @@ - + - - - + + + 7783-80-4 InChI=1/F6Te/c1-7(2,3,4,5)6 F6Te @@ -55270,11 +55270,11 @@ - + - - - + + + 13451-17-7 InChI=1/OTe/c1-2 OTe @@ -55285,11 +55285,11 @@ - + - - - + + + 10026-07-0 InChI=1/Cl4Te/c1-5(2,3)4 Cl4Te @@ -55304,11 +55304,11 @@ - + - - - + + + 7440-27-9 InChI=1/Tb Tb @@ -55318,11 +55318,11 @@ - + - - - + + + 10042-88-3 InChI=1/3ClH.Tb/h3*1H;/q;;;+3/p-3 Cl3Tb @@ -55335,11 +55335,11 @@ - + - - - + + + 75-91-2 InChI=1/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3 C4H10O2 @@ -55375,11 +55375,11 @@ - + - - - + + + 7341-22-2 InChI=1/C12H26S/c1-12(2,3)10-8-6-4-5-7-9-11-13/h13H,4-11H2,1-3H3 C12H26S @@ -55390,11 +55390,11 @@ - + - - - + + + 7341-16-4 InChI=1/C8H18S/c1-8(2,3)6-4-5-7-9/h9H,4-7H2,1-3H3 C8H18S @@ -55404,11 +55404,11 @@ - + - - - + + + 72926-13-7 InChI=1/6O.4Sb O6Sb4 @@ -55418,11 +55418,11 @@ - + - - - + + + 61349-44-8 S3Sb4 Tetraantimony trisulfide @@ -55430,11 +55430,11 @@ - + - - - + + + 12279-90-2 InChI=1/As4S4/c5-1-2-7-3(5)4(6-1)8-2 As4S4 @@ -55443,11 +55443,11 @@ - + - - - + + + 127-18-4 InChI=1/C2Cl4/c3-1(4)2(5)6 C2Cl4 @@ -55510,11 +55510,11 @@ - + - - - + + + 111-01-3 InChI=1/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3 C30H62 @@ -55537,11 +55537,11 @@ - + - - - + + + 629-59-4 InChI=1/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3 C14H30 @@ -55551,11 +55551,11 @@ - + - - - + + + 544-63-8 InChI=1/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) C14H28O2 @@ -55584,11 +55584,11 @@ - + - - - + + + 112-57-2 InChI=1/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2 C8H23N5 @@ -55609,11 +55609,11 @@ - + - - - + + + 78-00-2 InChI=1/4C2H5.Pb/c4*1-2;/h4*1H2,2H3; C8H20Pb @@ -55637,11 +55637,11 @@ - + - - - + + + 10036-47-2 InChI=1/F4N2/c1-5(2)6(3)4 F4N2 @@ -55658,11 +55658,11 @@ - + - - - + + + 119-64-2 InChI=1/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2 C10H12 @@ -55681,11 +55681,11 @@ - + - - - + + + 630-76-2 InChI=1/C25H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H C25H20 @@ -55697,11 +55697,11 @@ - + - - - + + + 16752-60-6 InChI=1/O10P4/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12 O10P4 @@ -55717,11 +55717,11 @@ - + - - - + + + 12066-62-5 InChI=1/P4S10/c5-1-9-2(6)12-3(7,10-1)14-4(8,11-1)13-2 P4S10 @@ -55734,11 +55734,11 @@ - + - - - + + + 12037-82-0 InChI=1/P4S7/c5-4-9-1-6-2(10-4)8-3(7-1)11-4 P4S7 @@ -55752,11 +55752,11 @@ - + - - - + + + 10248-58-5 InChI=1/O6P4/c1-7-2-9-4-8(1)5-10(3-7)6-9 O6P4 @@ -55766,11 +55766,11 @@ - + - - - + + + 12165-71-8 InChI=1/P4S6/c5-1-6-3-8-2(5)9-4(7-1)10-3 P4S6 @@ -55780,11 +55780,11 @@ - + - - - + + + 12137-70-1 InChI=1/P4S5/c5-1-2-7-3(5)9-4(6-1)8-2 P4S5 @@ -55794,11 +55794,11 @@ - + - - - + + + 1314-85-8 InChI=1/P4S3/c5-1-2-3(1)7-4(5)6-2 P4S3 @@ -55816,11 +55816,11 @@ - + - - - + + + 141-62-8 InChI=1/C10H30O3Si4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h1-10H3 C10H30O3Si4 @@ -55834,11 +55834,11 @@ - + - - - + + + 19269-85-3 InChI=1/S4/c1-2-4-3-1 S4 @@ -55849,11 +55849,11 @@ - + - - - + + + 12165-45-6 InChI=1/12O.4W O12W4 @@ -55865,11 +55865,11 @@ - + - - - + + + 7791-12-0 InChI=1/ClH.Tl/h1H;/q;+1/p-1 ClTl @@ -55889,11 +55889,11 @@ - + - - - + + + 7440-28-0 InChI=1/Tl Tl @@ -55904,11 +55904,11 @@ - + - - - + + + 7789-40-4 InChI=1/BrH.Tl/h1H;/q;+1/p-1 BrTl @@ -55927,11 +55927,11 @@ - + - - - + + + 7789-27-7 InChI=1/FH.Tl/h1H;/q;+1/p-1 FTl @@ -55945,11 +55945,11 @@ - + - - - + + + 7790-30-9 InChI=1/HI.Tl/h1H;/q;+1/p-1 ITl @@ -55966,11 +55966,11 @@ - + - - - + + + 287-27-4 InChI=1/C3H6S/c1-2-4-3-1/h1-3H2 C3H6S @@ -55982,11 +55982,11 @@ - + - - - + + + 420-12-2 InChI=1/C2H4S/c1-2-3-1/h1-2H2 C2H4S @@ -56002,11 +56002,11 @@ - + - - - + + + 111-48-8 InChI=1/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2 C4H10O2S @@ -56045,11 +56045,11 @@ - + - - - + + + 7719-09-7 InChI=1/Cl2OS/c1-4(2)3 Cl2OS @@ -56071,11 +56071,11 @@ - + - - - + + + 7783-42-8 InChI=1/F2OS/c1-4(2)3 F2OS @@ -56091,11 +56091,11 @@ - + - - - + + + 110-02-1 InChI=1/C4H4S/c1-2-4-5-3-1/h1-4H C4H4S @@ -56121,11 +56121,11 @@ - + - - - + + + 554-14-3 InChI=1/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3 C5H6S @@ -56136,11 +56136,11 @@ - + - - - + + + 616-44-4 InChI=1/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3 C5H6S @@ -56152,11 +56152,11 @@ - + - - - + + + 6012-97-1 InChI=1/C4Cl4S/c5-1-2(6)4(8)9-3(1)7 C4Cl4S @@ -56181,11 +56181,11 @@ - + - - - + + + 110-01-0 InChI=1/C4H8S/c1-2-4-5-3-1/h1-4H2 C4H8S @@ -56208,11 +56208,11 @@ - + - - - + + + 872-93-5 InChI=1/C5H10O2S/c1-5-2-3-8(6,7)4-5/h5H,2-4H2,1H3 C5H10O2S @@ -56224,11 +56224,11 @@ - + - - - + + + 126-33-0 InChI=1/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2 C4H8O2S @@ -56265,11 +56265,11 @@ - + - - - + + + 62-56-6 InChI=1/CH4N2S/c2-1(3)4/h(H4,2,3,4) CH4N2S @@ -56297,11 +56297,11 @@ - + - - - + + + 7440-29-1 InChI=1/Th Th @@ -56314,11 +56314,11 @@ - + - - - + + + 28844-11-3 InChI=1/2FH.Th/h2*1H;/q;;+2/p-2 F2Th @@ -56327,11 +56327,11 @@ - + - - - + + + 1314-20-1 InChI=1/2O.Th O2Th @@ -56350,11 +56350,11 @@ - + - - - + + + 12035-93-7 OTh Thorium monoxide @@ -56362,11 +56362,11 @@ - + - - - + + + 10026-08-1 InChI=1/4ClH.Th/h4*1H;/q;;;;+4/p-4 Cl4Th @@ -56380,11 +56380,11 @@ - + - - - + + + 13842-84-7 InChI=1/3FH.Th/h3*1H;/q;;;+3/p-3 F3Th @@ -56393,11 +56393,11 @@ - + - - - + + + 7440-30-4 InChI=1/Tm Tm @@ -56407,11 +56407,11 @@ - + - - - + + + 14456-51-0 InChI=1/3BrH.Tm/h3*1H;/q;;;+3/p-3 Br3Tm @@ -56423,11 +56423,11 @@ - + - - - + + + 13537-18-3 InChI=1/3ClH.Tm/h3*1H;/q;;;+3/p-3 Cl3Tm @@ -56440,11 +56440,11 @@ - + - - - + + + 13760-79-7 F3Tm Thulium trifluoride @@ -56452,11 +56452,11 @@ - + - - - + + + 13813-43-9 InChI=1/3HI.Tm/h3*1H;/q;;;+3/p-3 I3Tm @@ -56468,11 +56468,11 @@ - + - - - + + + 10031-24-0 InChI=1/2BrH.Sn/h2*1H;/q;;+2/p-2 Br2Sn @@ -56485,11 +56485,11 @@ - + - - - + + + 7772-99-8 InChI=1/2ClH.Sn/h2*1H;/q;;+2/p-2 Cl2Sn @@ -56516,11 +56516,11 @@ - + - - - + + + 7783-47-3 InChI=1/2FH.Sn/h2*1H;/q;;+2/p-2 F2Sn @@ -56538,11 +56538,11 @@ - + - - - + + + 10294-70-9 InChI=1/2HI.Sn/h2*1H;/q;;+2/p-2 I2Sn @@ -56556,11 +56556,11 @@ - + - - - + + + 13966-74-0 FSn Tin monofluoride @@ -56568,11 +56568,11 @@ - + - - - + + + 1315-06-6 InChI=1/Se.Sn SeSn @@ -56585,11 +56585,11 @@ - + - - - + + + 1314-95-0 InChI=1/S.Sn SSn @@ -56603,11 +56603,11 @@ - + - - - + + + 12040-02-7 InChI=1/Sn.Te SnTe @@ -56621,11 +56621,11 @@ - + - - - + + + 21651-19-4 InChI=1/O.Sn OSn @@ -56640,11 +56640,11 @@ - + - - - + + + 7789-67-5 InChI=1/4BrH.Sn/h4*1H;/q;;;;+4/p-4 Br4Sn @@ -56661,11 +56661,11 @@ - + - - - + + + 7646-78-8 InChI=1/4ClH.Sn/h4*1H;/q;;;;+4/p-4 Cl4Sn @@ -56700,11 +56700,11 @@ - + - - - + + + 7790-47-8 InChI=1/4HI.Sn/h4*1H;/q;;;;+4/p-4 I4Sn @@ -56720,11 +56720,11 @@ - + - - - + + + 7440-32-6 InChI=1/Ti Ti @@ -56747,11 +56747,11 @@ - + - - - + + + 7705-07-9 InChI=1/3ClH.Ti/h3*1H;/q;;;+3/p-3 Cl3Ti @@ -56772,11 +56772,11 @@ - + - - - + + + 12070-08-5 CTi Titanium carbide @@ -56784,11 +56784,11 @@ - + - - - + + + 15605-36-4 InChI=1/ClH.O.Ti/h1H;;/q;;+1/p-1 ClOTi @@ -56798,11 +56798,11 @@ - + - - - + + + 13814-20-5 InChI=1/2FH.Ti/h2*1H;/q;;+2/p-2 F2Ti @@ -56813,11 +56813,11 @@ - + - - - + + + 13463-67-7 InChI=1/2O.Ti O2Ti @@ -56947,11 +56947,11 @@ - + - - - + + + 18025-22-4 FTi Titanium fluoride @@ -56959,11 +56959,11 @@ - + - - - + + + 13537-16-1 F2OTi Titanium fluoride oxide @@ -56971,11 +56971,11 @@ - + - - - + + + 25583-20-4 InChI=1/N.Ti NTi @@ -56987,11 +56987,11 @@ - + - - - + + + 12039-07-5 STi Titanium monosulfide @@ -56999,11 +56999,11 @@ - + - - - + + + 12137-20-1 InChI=1/O.Ti OTi @@ -57016,11 +57016,11 @@ - + - - - + + + 7789-68-6 InChI=1/4BrH.Ti/h4*1H;/q;;;;+4/p-4 Br4Ti @@ -57033,11 +57033,11 @@ - + - - - + + + 7550-45-0 InChI=1/4ClH.Ti/h4*1H;/q;;;;+4/p-4 Cl4Ti @@ -57059,11 +57059,11 @@ - + - - - + + + 7720-83-4 InChI=1/4HI.Ti/h4*1H;/q;;;;+4/p-4 I4Ti @@ -57076,11 +57076,11 @@ - + - - - + + + 13470-08-1 InChI=1/3FH.Ti/h3*1H;/q;;;+3/p-3 F3Ti @@ -57093,11 +57093,11 @@ - + - - - + + + 108-88-3 InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 C7H8 @@ -57125,11 +57125,11 @@ - + - - - + + + 107373-21-7 S2Sb3 Triantimony disulfide @@ -57137,11 +57137,11 @@ - + - - - + + + 102-82-9 InChI=1/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3 C12H27N @@ -57157,11 +57157,11 @@ - + - - - + + + 76-02-8 InChI=1/C2Cl4O/c3-1(7)2(4,5)6 C2Cl4O @@ -57179,11 +57179,11 @@ - + - - - + + + 79-01-6 InChI=1/C2HCl3/c3-1-2(4)5/h1H C2HCl3 @@ -57277,11 +57277,11 @@ - + - - - + + + 3170-80-7 InChI=1/CCl3/c2-1(3)4 CCl3 @@ -57292,11 +57292,11 @@ - + - - - + + + 75-69-4 InChI=1/CCl3F/c2-1(3,4)5 CCl3F @@ -57347,11 +57347,11 @@ - + - - - + + + 10025-78-2 InChI=1/Cl3HSi/c1-4(2)3/h4H HCl3Si @@ -57371,11 +57371,11 @@ - + - - - + + + 37190-22-0 InChI=1/3Br.3Cu Br3Cu3 @@ -57384,11 +57384,11 @@ - + - - - + + + 11093-65-5 InChI=1/3Cl.3Cu Cl3Cu3 @@ -57398,11 +57398,11 @@ - + - - - + + + 67244-68-2 InChI=1/3Cu.3I Cu3I3 @@ -57413,11 +57413,11 @@ - + - - - + + + 73299-28-2 C21H21O4P Tricresyl phosphate @@ -57425,11 +57425,11 @@ - + - - - + + + 10486-19-8 InChI=1/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3 C13H26O @@ -57443,11 +57443,11 @@ - + - - - + + + 629-50-5 InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3 C13H28 @@ -57458,11 +57458,11 @@ - + - - - + + + 638-53-9 InChI=1/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15) C13H26O2 @@ -57474,11 +57474,11 @@ - + - - - + + + 102-71-6 InChI=1/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2 C6H15NO3 @@ -57520,11 +57520,11 @@ - + - - - + + + 78-40-0 InChI=1/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3 C6H15O4P @@ -57543,11 +57543,11 @@ - + - - - + + + 97-93-8 InChI=1/3C2H5.Al/c3*1-2;/h3*1H2,2H3; C6H15Al @@ -57560,11 +57560,11 @@ - + - - - + + + 121-44-8 InChI=1/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3 C6H15N @@ -57582,11 +57582,11 @@ - + - - - + + + 112-27-6 InChI=1/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2 C6H14O4 @@ -57614,11 +57614,11 @@ - + - - - + + + 280-57-9 InChI=1/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2 C6H12N2 @@ -57645,11 +57645,11 @@ - + - - - + + + 112-24-3 InChI=1/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2 C6H18N4 @@ -57678,11 +57678,11 @@ - + - - - + + + 2264-21-3 InChI=1/CF3/c2-1(3)4 CF3 @@ -57693,11 +57693,11 @@ - + - - - + + + 110682-19-4 InChI=1/3F.3Li F3Li3 @@ -57708,11 +57708,11 @@ - + - - - + + + 552-30-7 InChI=1/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11) C9H4O5 @@ -57743,11 +57743,11 @@ - + - - - + + + 75-24-1 InChI=1/3CH3.Al/h3*1H3; C3H9Al @@ -57761,11 +57761,11 @@ - + - - - + + + 75-50-3 InChI=1/C3H9N/c1-4(2)3/h1-3H3 C3H9N @@ -57780,11 +57780,11 @@ - + - - - + + + 118-96-7 InChI=1/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3 C7H5N3O6 @@ -57820,11 +57820,11 @@ - + - - - + + + 122-32-7 InChI=1/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25+,29-26+,30-27+ C57H104O6 @@ -57844,11 +57844,11 @@ - + - - - + + + 519-73-3 InChI=1/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H C19H16 @@ -57863,11 +57863,11 @@ - + - - - + + + 115-86-6 InChI=1/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H C18H15O4P @@ -57890,11 +57890,11 @@ - + - - - + + + 1638-16-0 InChI=1/C9H20O4/c1-7(10)4-12-6-9(3)13-5-8(2)11/h7-11H,4-6H2,1-3H3 C9H20O4 @@ -57906,11 +57906,11 @@ - + - - - + + + 107-51-7 InChI=1/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3 C8H24O2Si3 @@ -57926,11 +57926,11 @@ - + - - - + + + 12165-37-6 InChI=1/9O.3W O9W3 @@ -57942,11 +57942,11 @@ - + - - - + + + 1344-59-8 O8U3 Triuranium octoxide @@ -57954,11 +57954,11 @@ - + - - - + + + 7440-33-7 InChI=1/W W @@ -57970,11 +57970,11 @@ - + - - - + + + 13701-86-5 Br6W Tungsten bromide @@ -57982,11 +57982,11 @@ - + - - - + + + 13470-12-7 Cl2W Tungsten chloride @@ -57994,11 +57994,11 @@ - + - - - + + + 13520-76-8 Cl2O2W Tungsten chloride oxide @@ -58006,11 +58006,11 @@ - + - - - + + + 14447-89-3 InChI=1/2HI.2O.W/h2*1H;;;/q;;;;+2/p-2 I2O2W @@ -58020,11 +58020,11 @@ - + - - - + + + 12036-22-5 InChI=1/2O.W O2W @@ -58037,11 +58037,11 @@ - + - - - + + + 14040-11-0 InChI=1/6CO.W/c6*1-2; C6O6W @@ -58055,11 +58055,11 @@ - + - - - + + + 13283-01-7 InChI=1/6ClH.W/h6*1H;/q;;;;;;+6/p-6 Cl6W @@ -58076,11 +58076,11 @@ - + - - - + + + 7783-82-6 InChI=1/6FH.W/h6*1H;/q;;;;;;+6/p-6 F6W @@ -58096,11 +58096,11 @@ - + - - - + + + 51621-16-0 InChI=1/FH.W/h1H;/q;+1/p-1 FW @@ -58111,11 +58111,11 @@ - + - - - + + + 12035-99-3 OW Tungsten oxide @@ -58123,11 +58123,11 @@ - + - - - + + + 13470-11-6 InChI=1/5BrH.W/h5*1H;/q;;;;;+5/p-5 Br5W @@ -58139,11 +58139,11 @@ - + - - - + + + 13470-14-9 InChI=1/5ClH.W/h5*1H;/q;;;;;+5/p-5 Cl5W @@ -58154,11 +58154,11 @@ - + - - - + + + 13470-13-8 InChI=1/4ClH.W/h4*1H;/q;;;;+4/p-4 Cl4W @@ -58170,11 +58170,11 @@ - + - - - + + + 13520-79-1 InChI=1/4FH.O.W/h4*1H;;/q;;;;;+4/p-4 F4OW @@ -58187,11 +58187,11 @@ - + - - - + + + 1314-35-8 InChI=1/3O.W O3W @@ -58211,11 +58211,11 @@ - + - - - + + + 7783-03-1 InChI=1/2H2O.2O.W/h2*1H2;;;/q;;;;+2/p-2 H2O4W @@ -58230,11 +58230,11 @@ - + - - - + + + 112-44-7 InChI=1/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3 C11H22O @@ -58254,11 +58254,11 @@ - + - - - + + + 1120-21-4 InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3 C11H24 @@ -58271,11 +58271,11 @@ - + - - - + + + 1002-43-3 InChI=1/C12H26/c1-4-6-7-8-9-10-11-12(3)5-2/h12H,4-11H2,1-3H3 C12H26 @@ -58285,11 +58285,11 @@ - + - - - + + + 112-37-8 InChI=1/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13) C11H22O2 @@ -58304,11 +58304,11 @@ - + - - - + + + 7440-61-1 InChI=1/U U @@ -58319,11 +58319,11 @@ - + - - - + + + 13536-84-0 InChI=1/2FH.2O.U/h2*1H;;;/q;;;;+2/p-2 F2O2U @@ -58336,11 +58336,11 @@ - + - - - + + + 1344-57-6 InChI=1/2O.U O2U @@ -58354,11 +58354,11 @@ - + - - - + + + 7783-81-5 InChI=1/6FH.U/h6*1H;/q;;;;;;+6/p-6 F6U @@ -58376,11 +58376,11 @@ - + - - - + + + 12070-09-6 CU Uranium monocarbide @@ -58388,11 +58388,11 @@ - + - - - + + + 12039-11-1 SU Uranium monosulfide @@ -58400,11 +58400,11 @@ - + - - - + + + 13775-16-1 InChI=1/5BrH.U/h5*1H;/q;;;;;+5/p-5 Br5U @@ -58413,11 +58413,11 @@ - + - - - + + + 13775-07-0 InChI=1/5FH.U/h5*1H;/q;;;;;+5/p-5 F5U @@ -58429,11 +58429,11 @@ - + - - - + + + 13470-20-7 InChI=1/4BrH.U/h4*1H;/q;;;;+4/p-4 Br4U @@ -58445,11 +58445,11 @@ - + - - - + + + 10026-10-5 InChI=1/4ClH.U/h4*1H;/q;;;;+4/p-4 Cl4U @@ -58462,11 +58462,11 @@ - + - - - + + + 10049-14-6 InChI=1/4FH.U/h4*1H;/q;;;;+4/p-4 F4U @@ -58478,11 +58478,11 @@ - + - - - + + + 13470-19-4 InChI=1/3BrH.U/h3*1H;/q;;;+3/p-3 Br3U @@ -58491,11 +58491,11 @@ - + - - - + + + 1344-58-7 InChI=1/3O.U O3U @@ -58509,11 +58509,11 @@ - + - - - + + + 57-13-6 InChI=1/CH4N2O/c2-1(3)4/h(H4,2,3,4) CH4N2O @@ -58561,24519 +58561,24519 @@ - + - - - + + + 154.21 - + - + - - - + + + 152.19 - + - + - - - + + + 44.05 - + - + - - - + + + 78.5 - + - + - - - + + + 147.39 - + - + - - - + + + 59.07 - + - + - - - + + + 59.07 - + - + - - - + + + 73.09 - + - + - - - + + + 135.16 - + - + - - - + + + 87.12 - + - + - - - + + + 151.16 - + - + - - - + + + 60.05 - + - + - - - + + + 102.13 - + - + - - - + + + 116.16 - + - + - - - + + + 116.16 - + - + - - - + + + 172.26 - + - + - - - + + + 100.12 - + - + - - - + + + 116.16 - + - + - - - + + + 94.5 - + - + - - - + + + 108.52 - + - + - - - + + + 113.11 - + - + - - - 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+ - + - - - + + + 230.3 - + - + - - - + + + 108.09 - + - + - - - + + + 127.57 - + - + - - - + + + 128.56 - + - + - - - + + + 138.12 - + - + - - - + + + 230.3 - + - + - - - + + + 107.15 - + - + - - - + + + 106.17 - + - + - - - + + + 212.29 - + - + - - - + + + 104.17 - + - + - - - + + + 140.27 - + - + - - - + + + 160.32 - + - + - - - + + + 114.19 - + - + - - - + + + 122.2 - + - + - - - + + + 7440-62-2 InChI=1/V V @@ -83083,11 +83083,11 @@ - + - - - + + + 10049-12-4 InChI=1/3FH.V/h3*1H;/q;;;+3/p-3 F3V @@ -83100,11 +83100,11 @@ - + - - - + + + 10049-16-8 F4V Vanadium(IV)fluoride @@ -83112,11 +83112,11 @@ - + - - - + + + 1314-34-7 InChI=1/3O.2V O3V2 @@ -83133,11 +83133,11 @@ - + - - - + + + 1314-62-1 InChI=1/5O.2V O5V2 @@ -83168,11 +83168,11 @@ - + - - - + + + 12036-21-4 InChI=1/2O.V O2V @@ -83185,11 +83185,11 @@ - + - - - + + + 24646-85-3 NV Vanadium mononitride @@ -83197,11 +83197,11 @@ - + - - - + + + 12035-98-2 InChI=1/O.V OV @@ -83214,11 +83214,11 @@ - + - - - + + + 7727-18-6 InChI=1/3ClH.O.V/h3*1H;;/q;;;;+3/p-3 Cl3OV @@ -83236,11 +83236,11 @@ - + - - - + + + 7632-51-1 InChI=1/4ClH.V/h4*1H;/q;;;;+4/p-4 Cl4V @@ -83254,11 +83254,11 @@ - + - - - + + + 109-93-3 InChI=1/C4H6O/c1-3-5-4-2/h3-4H,1-2H2 C4H6O @@ -83284,11 +83284,11 @@ - + - - - + + + 7732-18-5 InChI=1/H2O/h1H2 H2O @@ -83304,11 +83304,11 @@ - + - - - + + + 14940-63-7 InChI=1/H2O/h1H2/i/hD HDO @@ -83319,11 +83319,11 @@ - + - - - + + + 7440-63-3 InChI=1/Xe Xe @@ -83338,11 +83338,11 @@ - + - - - + + + 7440-64-4 InChI=1/Yb Yb @@ -83353,11 +83353,11 @@ - + - - - + + + 13874-77-6 InChI=1/2ClH.Yb/h2*1H;/q;;+2/p-2 Cl2Yb @@ -83369,11 +83369,11 @@ - + - - - + + + 10361-91-8 InChI=1/3ClH.Yb/h3*1H;/q;;;+3/p-3 Cl3Yb @@ -83387,11 +83387,11 @@ - + - - - + + + 7440-65-5 InChI=1/Y Y @@ -83403,11 +83403,11 @@ - + - - - + + + 1314-36-9 InChI=1/3O.2Y O3Y2 @@ -83420,11 +83420,11 @@ - + - - - + + + 10361-92-9 Cl3Y Yttrium trichloride @@ -83432,11 +83432,11 @@ - + - - - + + + 13709-49-4 F3Y Yttrium trifluoride @@ -83444,11 +83444,11 @@ - + - - - + + + 7440-66-6 InChI=1/Zn Zn @@ -83477,11 +83477,11 @@ - + - - - + + + 7699-45-8 InChI=1/2BrH.Zn/h2*1H;/q;;+2/p-2 Br2Zn @@ -83494,11 +83494,11 @@ - + - - - + + + 7646-85-7 InChI=1/2ClH.Zn/h2*1H;/q;;+2/p-2 Cl2Zn @@ -83526,11 +83526,11 @@ - + - - - + + + 7783-49-5 InChI=1/2FH.Zn/h2*1H;/q;;+2/p-2 F2Zn @@ -83543,11 +83543,11 @@ - + - - - + + + 10139-47-6 InChI=1/2HI.Zn/h2*1H;/q;;+2/p-2 I2Zn @@ -83562,11 +83562,11 @@ - + - - - + + + 1314-13-2 InChI=1/O.Zn OZn @@ -83617,11 +83617,11 @@ - + - - - + + + 7733-02-0 InChI=1/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2 O4SZn @@ -83656,11 +83656,11 @@ - + - - - + + + 7440-67-7 InChI=1/Zr Zr @@ -83683,11 +83683,11 @@ - + - - - + + + 12045-64-6 B2Zr Zirconium boride @@ -83695,11 +83695,11 @@ - + - - - + + + 24621-17-8 Br2Zr Zirconium bromide @@ -83707,11 +83707,11 @@ - + - - - + + + 12070-14-3 CZr Zirconium carbide @@ -83719,11 +83719,11 @@ - + - - - + + + 10241-03-9 Cl3Zr Zirconium chloride @@ -83731,11 +83731,11 @@ - + - - - + + + 1314-23-4 InChI=1/2O.Zr O2Zr @@ -83764,11 +83764,11 @@ - + - - - + + + 13569-28-3 FZr Zirconium fluoride @@ -83776,11 +83776,11 @@ - + - - - + + + 13940-37-9 HZr Zirconium hydride @@ -83788,11 +83788,11 @@ - + - - - + + + 13779-87-8 I3Zr Zirconium iodide @@ -83800,11 +83800,11 @@ - + - - - + + + 25658-42-8 NZr Zirconium mononitride @@ -83812,11 +83812,11 @@ - + - - - + + + 12036-01-0 InChI=1/O.Zr OZr @@ -83827,11 +83827,11 @@ - + - - - + + + 10101-52-7 InChI=1/H3O4Si.Zr/c1-5(2,3)4;/h1-3H;/q-1; O4SiZr @@ -83844,11 +83844,11 @@ - + - - - + + + 13777-25-8 InChI=1/4BrH.Zr/h4*1H;/q;;;;+4/p-4 Br4Zr @@ -83862,11 +83862,11 @@ - + - - - + + + 10026-11-6 InChI=1/4ClH.Zr/h4*1H;/q;;;;+4/p-4 Cl4Zr @@ -83882,11 +83882,11 @@ - + - - - + + + 7783-64-4 InChI=1/4FH.Zr/h4*1H;/p-1 F4Zr @@ -83898,11 +83898,11 @@ - + - - - + + + 13986-26-0 InChI=1/4HI.Zr/h4*1H;/q;;;;+4/p-4 I4Zr @@ -83915,11 +83915,11 @@ - + - - - + + + 13814-22-7 F3Zr Zirconium trifluoride @@ -83927,11 +83927,11 @@ - + - - - + + + 109-73-9 InChI=1/C4H11N/c1-2-3-4-5/h2-5H2,1H3 C4H11N @@ -83960,11 +83960,11 @@ - + - - - + + + 111-92-2 InChI=1/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3 C8H19N @@ -83983,11 +83983,11 @@ - + - - - + + + 927-62-8 InChI=1/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3 C6H15N @@ -84004,11 +84004,11 @@ - + - - - + + + 109-79-5 InChI=1/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3 C4H10S @@ -84030,11 +84030,11 @@ - + - - - + + + 71-36-3 InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 C4H10O @@ -84070,11 +84070,11 @@ - + - - - + + + 123-51-3 InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 C5H12O @@ -84109,11 +84109,11 @@ - + - - - + + + 123-92-2 InChI=1/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3 C7H14O2 @@ -84149,11 +84149,11 @@ - + - - - + + + 689-97-4 InChI=1/C4H4/c1-3-4-2/h1,4H,2H2 C4H4 @@ -84174,11 +84174,11 @@ - + - - - + + + 106-98-9 InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H3 C4H8 @@ -84194,11 +84194,11 @@ - + - - - + + + 563-46-2 InChI=1/C5H10/c1-4-5(2)3/h2,4H2,1,3H3 C5H10 @@ -84216,11 +84216,11 @@ - + - - - + + + 27416-06-4 C6H12 1-Butene, 2,3-dimethyl- @@ -84228,11 +84228,11 @@ - + - - - + + + 594-56-9 InChI=1/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3 C7H14 @@ -84244,11 +84244,11 @@ - + - - - + + + 563-45-1 InChI=1/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3 C5H10 @@ -84266,11 +84266,11 @@ - + - - - + + + 558-37-2 InChI=1/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3 C6H12 @@ -84289,11 +84289,11 @@ - + - - - + + + 760-23-6 InChI=1/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2 C4H6Cl2 @@ -84305,11 +84305,11 @@ - + - - - + + + 107-00-6 InChI=1/C4H6/c1-3-4-2/h1H,4H2,2H3 C4H6 @@ -84324,11 +84324,11 @@ - + - - - + + + 598-23-2 InChI=1/C5H8/c1-4-5(2)3/h1,5H,2-3H3 C5H8 @@ -84343,11 +84343,11 @@ - + - - - + + + 2016-57-1 InChI=1/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3 C10H23N @@ -84366,11 +84366,11 @@ - + - - - + + + 143-10-2 InChI=1/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3 C10H22S @@ -84383,11 +84383,11 @@ - + - - - + + + 112-30-1 InChI=1/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3 C10H22O @@ -84427,11 +84427,11 @@ - + - - - + + + 872-05-9 InChI=1/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3 C10H20 @@ -84451,11 +84451,11 @@ - + - - - + + + 764-93-2 InChI=1/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3 C10H18 @@ -84466,11 +84466,11 @@ - + - - - + + + 124-22-1 InChI=1/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3 C12H27N @@ -84492,11 +84492,11 @@ - + - - - + + + 112-55-0 InChI=1/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3 C12H26S @@ -84519,11 +84519,11 @@ - + - - - + + + 112-53-8 InChI=1/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3 C12H26O @@ -84584,11 +84584,11 @@ - + - - - + + + 112-41-4 InChI=1/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3 C12H24 @@ -84608,11 +84608,11 @@ - + - - - + + + 629-96-9 InChI=1/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3 C20H42O @@ -84630,11 +84630,11 @@ - + - - - + + + 3452-07-1 InChI=1/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3 C20H40 @@ -84650,11 +84650,11 @@ - + - - - + + + 622-96-8 InChI=1/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 C9H12 @@ -84675,11 +84675,11 @@ - + - - - + + + 1454-85-9 InChI=1/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3 C17H36O @@ -84694,11 +84694,11 @@ - + - - - + + + 6765-39-5 InChI=1/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3 C17H34 @@ -84710,11 +84710,11 @@ - + - - - + + + 111-68-2 InChI=1/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3 C7H17N @@ -84728,11 +84728,11 @@ - + - - - + + + 1639-09-4 InChI=1/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 C7H16S @@ -84746,11 +84746,11 @@ - + - - - + + + 111-70-6 InChI=1/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 C7H16O @@ -84777,11 +84777,11 @@ - + - - - + + + 592-76-7 InChI=1/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3 C7H14 @@ -84796,11 +84796,11 @@ - + - - - + + + 15870-10-7 InChI=1/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3 C8H16 @@ -84811,11 +84811,11 @@ - + - - - + + + 5026-76-6 InChI=1/C8H16/c1-4-5-6-7-8(2)3/h4,8H,1,5-7H2,2-3H3 C8H16 @@ -84826,11 +84826,11 @@ - + - - - + + + 628-71-7 InChI=1/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3 C7H12 @@ -84841,11 +84841,11 @@ - + - - - + + + 36653-82-4 InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3 C16H34O @@ -84924,11 +84924,11 @@ - + - - - + + + 629-73-2 InChI=1/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3 C16H32 @@ -84945,11 +84945,11 @@ - + - - - + + + 111-26-2 InChI=1/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3 C6H15N @@ -84964,11 +84964,11 @@ - + - - - + + + 106-20-7 InChI=1/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3 C16H35N @@ -84987,11 +84987,11 @@ - + - - - + + + 111-31-9 InChI=1/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 C6H14S @@ -85007,11 +85007,11 @@ - + - - - + + + 111-27-3 InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 C6H14O @@ -85037,11 +85037,11 @@ - + - - - + + + 104-76-7 InChI=1/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 C8H18O @@ -85063,11 +85063,11 @@ - + - - - + + + 592-41-6 InChI=1/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3 C6H12 @@ -85085,11 +85085,11 @@ - + - - - + + + 6094-02-6 InChI=1/C7H14/c1-4-5-6-7(2)3/h2,4-6H2,1,3H3 C7H14 @@ -85100,11 +85100,11 @@ - + - - - + + + 3404-61-3 InChI=1/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3 C7H14 @@ -85114,11 +85114,11 @@ - + - - - + + + 3769-23-1 InChI=1/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3 C7H14 @@ -85129,11 +85129,11 @@ - + - - - + + + 3524-73-0 InChI=1/C7H14/c1-4-5-6-7(2)3/h4,7H,1,5-6H2,2-3H3 C7H14 @@ -85143,11 +85143,11 @@ - + - - - + + + 693-02-7 InChI=1/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3 C6H10 @@ -85161,11 +85161,11 @@ - + - - - + + + 3944-36-3 InChI=1/C6H14O2/c1-5(2)8-4-6(3)7/h5-7H,4H2,1-3H3 C6H14O2 @@ -85176,11 +85176,11 @@ - + - - - + + + 527-84-4 InChI=1/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3 C10H14 @@ -85201,11 +85201,11 @@ - + - - - + + + 535-77-3 InChI=1/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3 C10H14 @@ -85224,11 +85224,11 @@ - + - - - + + + 1454-84-8 InChI=1/C19H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3 C19H40O @@ -85241,11 +85241,11 @@ - + - - - + + + 18435-45-5 InChI=1/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3 C19H38 @@ -85255,11 +85255,11 @@ - + - - - + + + 112-20-9 InChI=1/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3 C9H21N @@ -85272,11 +85272,11 @@ - + - - - + + + 1455-21-6 InChI=1/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3 C9H20S @@ -85288,11 +85288,11 @@ - + - - - + + + 143-08-8 InChI=1/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3 C9H20O @@ -85311,11 +85311,11 @@ - + - - - + + + 124-11-8 InChI=1/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3 C9H18 @@ -85329,11 +85329,11 @@ - + - - - + + + 2980-71-4 InChI=1/C10H20/c1-4-5-6-7-8-9-10(2)3/h2,4-9H2,1,3H3 C10H20 @@ -85343,11 +85343,11 @@ - + - - - + + + 3452-09-3 InChI=1/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3 C9H16 @@ -85357,11 +85357,11 @@ - + - - - + + + 112-92-5 InChI=1/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3 C18H38O @@ -85425,11 +85425,11 @@ - + - - - + + + 112-88-9 InChI=1/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3 C18H36 @@ -85443,11 +85443,11 @@ - + - - - + + + 111-86-4 InChI=1/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3 C8H19N @@ -85470,11 +85470,11 @@ - + - - - + + + 1116-76-3 InChI=1/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3 C24H51N @@ -85494,11 +85494,11 @@ - + - - - + + + 1120-48-5 InChI=1/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3 C16H35N @@ -85513,11 +85513,11 @@ - + - - - + + + 111-88-6 InChI=1/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 C8H18S @@ -85535,11 +85535,11 @@ - + - - - + + + 111-87-5 InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 C8H18O @@ -85573,11 +85573,11 @@ - + - - - + + + 111-66-0 InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3 C8H16 @@ -85595,11 +85595,11 @@ - + - - - + + + 4588-18-5 InChI=1/C9H18/c1-4-5-6-7-8-9(2)3/h2,4-8H2,1,3H3 C9H18 @@ -85610,11 +85610,11 @@ - + - - - + + + 13151-06-9 InChI=1/C9H18/c1-4-5-6-7-8-9(2)3/h4,9H,1,5-8H2,2-3H3 C9H18 @@ -85624,11 +85624,11 @@ - + - - - + + + 629-05-0 InChI=1/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3 C8H14 @@ -85639,11 +85639,11 @@ - + - - - + + + 629-76-5 InChI=1/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3 C15H32O @@ -85658,11 +85658,11 @@ - + - - - + + + 13360-61-7 InChI=1/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3 C15H30 @@ -85674,11 +85674,11 @@ - + - - - + + + 110-58-7 InChI=1/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3 C5H13N @@ -85696,11 +85696,11 @@ - + - - - + + + 2050-92-2 InChI=1/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3 C10H23N @@ -85716,11 +85716,11 @@ - + - - - + + + 621-77-2 InChI=1/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3 C15H33N @@ -85734,11 +85734,11 @@ - + - - - + + + 110-66-7 InChI=1/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3 C5H12S @@ -85762,11 +85762,11 @@ - + - - - + + + 71-41-0 InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3 C5H12O @@ -85797,11 +85797,11 @@ - + - - - + + + 589-35-5 InChI=1/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3 C6H14O @@ -85815,11 +85815,11 @@ - + - - - + + + 646-05-9 InChI=1/C5H6/c1-3-5-4-2/h3H,1H2,2H3 C5H6 @@ -85834,11 +85834,11 @@ - + - - - + + + 109-67-1 InChI=1/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3 C5H10 @@ -85853,11 +85853,11 @@ - + - - - + + + 763-29-1 InChI=1/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3 C6H12 @@ -85871,11 +85871,11 @@ - + - - - + + + 107-39-1 InChI=1/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3 C8H16 @@ -85893,11 +85893,11 @@ - + - - - + + + 4038-04-4 InChI=1/C7H14/c1-4-7(5-2)6-3/h4,7H,1,5-6H2,2-3H3 C7H14 @@ -85908,11 +85908,11 @@ - + - - - + + + 760-20-3 InChI=1/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3 C6H12 @@ -85925,11 +85925,11 @@ - + - - - + + + 691-37-2 InChI=1/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3 C6H12 @@ -85942,11 +85942,11 @@ - + - - - + + + 627-19-0 InChI=1/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3 C5H8 @@ -85958,11 +85958,11 @@ - + - - - + + + 14898-87-4 InChI=1/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 C9H12O @@ -85973,11 +85973,11 @@ - + - - - + + + 123-01-3 InChI=1/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3 C18H30 @@ -86000,11 +86000,11 @@ - + - - - + + + 103-76-4 InChI=1/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2 C6H14N2O @@ -86028,11 +86028,11 @@ - + - - - + + + 107-10-8 InChI=1/C3H9N/c1-2-3-4/h2-4H2,1H3 C3H9N @@ -86051,11 +86051,11 @@ - + - - - + + + 78-81-9 InChI=1/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3 C4H11N @@ -86076,11 +86076,11 @@ - + - - - + + + 110-96-3 InChI=1/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3 C8H19N @@ -86095,11 +86095,11 @@ - + - - - + + + 102-69-2 InChI=1/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3 C9H21N @@ -86115,11 +86115,11 @@ - + - - - + + + 142-84-7 InChI=1/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3 C6H15N @@ -86138,11 +86138,11 @@ - + - - - + + + 107-03-9 InChI=1/C3H8S/c1-2-3-4/h4H,2-3H2,1H3 C3H8S @@ -86160,11 +86160,11 @@ - + - - - + + + 513-44-0 InChI=1/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3 C4H10S @@ -86178,11 +86178,11 @@ - + - - - + + + 71-23-8 InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 C3H8O @@ -86215,11 +86215,11 @@ - + - - - + + + 78-83-1 InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 C4H10O @@ -86251,11 +86251,11 @@ - + - - - + + + 75-84-3 InChI=1/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3 C5H12O @@ -86274,11 +86274,11 @@ - + - - - + + + 616-23-9 InChI=1/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2 C3H6Cl2O @@ -86294,11 +86294,11 @@ - + - - - + + + 156-87-6 InChI=1/C3H9NO/c4-2-1-3-5/h5H,1-4H2 C3H9NO @@ -86320,11 +86320,11 @@ - + - - - + + + 557-98-2 InChI=1/C3H5Cl/c1-3(2)4/h1H2,2H3 C3H5Cl @@ -86342,11 +86342,11 @@ - + - - - + + + 115-11-7 InChI=1/C4H8/c1-4(2)3/h1H2,2-3H3 C4H8 @@ -86368,11 +86368,11 @@ - + - - - + + + 107-05-1 InChI=1/C3H5Cl/c1-2-3-4/h2H,1,3H2 C3H5Cl @@ -86407,11 +86407,11 @@ - + - - - + + + 1569-01-3 InChI=1/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3 C6H14O2 @@ -86423,11 +86423,11 @@ - + - - - + + + 624-65-7 InChI=1/C3H3Cl/c1-2-3-4/h1H,3H2 C3H3Cl @@ -86442,11 +86442,11 @@ - + - - - + + + 2016-42-4 InChI=1/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3 C14H31N @@ -86464,11 +86464,11 @@ - + - - - + + + 112-72-1 InChI=1/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3 C14H30O @@ -86503,11 +86503,11 @@ - + - - - + + + 1120-36-1 InChI=1/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3 C14H28 @@ -86521,11 +86521,11 @@ - + - - - + + + 136-35-6 InChI=1/C12H11N3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h1-10H,(H,13,14) C12H11N3 @@ -86544,11 +86544,11 @@ - + - - - + + + 112-70-9 InChI=1/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3 C13H28O @@ -86565,11 +86565,11 @@ - + - - - + + + 2437-56-1 InChI=1/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3 C13H26 @@ -86584,11 +86584,11 @@ - + - - - + + + 7307-55-3 InChI=1/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3 C11H25N @@ -86602,11 +86602,11 @@ - + - - - + + + 5332-52-5 InChI=1/C11H24S/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3 C11H24S @@ -86616,11 +86616,11 @@ - + - - - + + + 112-42-5 InChI=1/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3 C11H24O @@ -86647,11 +86647,11 @@ - + - - - + + + 821-95-4 InChI=1/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3 C11H22 @@ -86664,11 +86664,11 @@ - + - - - + + + 624-22-6 InChI=1/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3 C7H16O @@ -86679,11 +86679,11 @@ - + - - - + + + 111-49-9 InChI=1/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2 C6H13N @@ -86706,11 +86706,11 @@ - + - - - + + + 767-59-9 InChI=1/C10H10/c1-8-6-7-9-4-2-3-5-10(8)9/h2-8H,1H3 C10H10 @@ -86724,11 +86724,11 @@ - + - - - + + + 288-13-1 InChI=1/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5) C3H4N2 @@ -86739,11 +86739,11 @@ - + - - - + + + 96-54-8 InChI=1/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3 C5H7N @@ -86758,11 +86758,11 @@ - + - - - + + + 542-10-9 InChI=1/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3 C6H10O4 @@ -86776,11 +86776,11 @@ - + - - - + + + 1717-00-6 InChI=1/C2H3Cl2F/c1-2(3,4)5/h1H3 C2H3Cl2F @@ -86796,11 +86796,11 @@ - + - - - + + + 612-00-0 InChI=1/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3 C14H14 @@ -86815,11 +86815,11 @@ - + - - - + + + 78-01-3 C10H20 1,1-diethylcyclohexane @@ -86827,11 +86827,11 @@ - + - - - + + + 92-51-3 InChI=1/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2 C12H22 @@ -86849,11 +86849,11 @@ - + - - - + + + 1814-88-6 InChI=1/C3H3F5/c1-2(4,5)3(6,7)8/h1H3 C3H3F5 @@ -86862,11 +86862,11 @@ - + - - - + + + 431-63-0 InChI=1/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H C3H2F6 @@ -86877,11 +86877,11 @@ - + - - - + + + 431-89-0 InChI=1/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H C3HF7 @@ -86894,11 +86894,11 @@ - + - - - + + + 430-66-0 InChI=1/C2H3F3/c3-1-2(4)5/h2H,1H2 C2H3F3 @@ -86909,11 +86909,11 @@ - + - - - + + + 4259-00-1 InChI=1/C8H16/c1-7-5-4-6-8(7,2)3/h7H,4-6H2,1-3H3 C8H16 @@ -86924,11 +86924,11 @@ - + - - - + + + 79-27-6 InChI=1/C2H2Br4/c3-1(4)2(5)6/h1-2H C2H2Br4 @@ -86952,11 +86952,11 @@ - + - - - + + + 95-54-5 InChI=1/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2 C6H8N2 @@ -86985,11 +86985,11 @@ - + - - - + + + 88-99-3 InChI=1/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) C8H6O4 @@ -87007,11 +87007,11 @@ - + - - - + + + 84-69-5 InChI=1/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3 C16H22O4 @@ -87030,11 +87030,11 @@ - + - - - + + + 84-77-5 InChI=1/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3 C28H46O4 @@ -87052,11 +87052,11 @@ - + - - - + + + 3648-21-3 InChI=1/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3 C22H34O4 @@ -87069,11 +87069,11 @@ - + - - - + + + 84-75-3 InChI=1/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3 C20H30O4 @@ -87086,11 +87086,11 @@ - + - - - + + + 84-76-4 InChI=1/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3 C26H42O4 @@ -87108,11 +87108,11 @@ - + - - - + + + 131-16-8 InChI=1/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3 C14H18O4 @@ -87125,11 +87125,11 @@ - + - - - + + + 120-80-9 InChI=1/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H C6H6O2 @@ -87166,11 +87166,11 @@ - + - - - + + + 98-29-3 InChI=1/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3 C10H14O2 @@ -87196,11 +87196,11 @@ - + - - - + + + 590-19-2 InChI=1/C4H6/c1-3-4-2/h4H,1H2,2H3 C4H6 @@ -87212,11 +87212,11 @@ - + - - - + + + 598-25-4 InChI=1/C5H8/c1-4-5(2)3/h1H2,2-3H3 C5H8 @@ -87231,11 +87231,11 @@ - + - - - + + + 584-03-2 InChI=1/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3 C4H10O2 @@ -87249,11 +87249,11 @@ - + - - - + + + 624-72-6 InChI=1/C2H4F2/c3-1-2-4/h1-2H2 C2H4F2 @@ -87268,11 +87268,11 @@ - + - - - + + + 111-40-0 InChI=1/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2 C4H13N3 @@ -87309,11 +87309,11 @@ - + - - - + + + 110-18-9 InChI=1/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3 C6H16N2 @@ -87344,11 +87344,11 @@ - + - - - + + + 107-21-1 InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C2H6O2 @@ -87384,11 +87384,11 @@ - + - - - + + + 111-55-7 InChI=1/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3 C6H10O4 @@ -87408,11 +87408,11 @@ - + - - - + + + 628-96-6 InChI=1/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2 C2H4N2O6 @@ -87434,11 +87434,11 @@ - + - - - + + + 540-63-6 InChI=1/C2H6S2/c3-1-2-4/h3-4H,1-2H2 C2H6S2 @@ -87459,11 +87459,11 @@ - + - - - + + + 592-44-9 InChI=1/C6H10/c1-3-5-6-4-2/h5H,1,4,6H2,2H3 C6H10 @@ -87473,11 +87473,11 @@ - + - - - + + + 591-95-7 InChI=1/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3 C5H8 @@ -87489,11 +87489,11 @@ - + - - - + + + 463-49-0 InChI=1/C3H4/c1-3-2/h1-2H2 C3H4 @@ -87510,11 +87510,11 @@ - + - - - + + + 78-90-0 InChI=1/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3 C3H10N2 @@ -87527,11 +87527,11 @@ - + - - - + + + 96-24-2 InChI=1/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2 C3H7ClO2 @@ -87570,11 +87570,11 @@ - + - - - + + + 87-66-1 InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H C6H6O3 @@ -87599,11 +87599,11 @@ - + - - - + + + 77-92-9 InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) C6H8O7 @@ -87623,11 +87623,11 @@ - + - - - + + + 56-81-5 InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 C3H8O3 @@ -87675,11 +87675,11 @@ - + - - - + + + 102-76-1 InChI=1/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3 C9H14O6 @@ -87705,11 +87705,11 @@ - + - - - + + + 55-63-0 InChI=1/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2 C3H5N3O9 @@ -87850,11 +87850,11 @@ - + - - - + + + 3726-45-2 C10H20 1,2,3,4-tetramethylcyclohexane @@ -87862,11 +87862,11 @@ - + - - - + + + 528-44-9 InChI=1/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15) C9H6O6 @@ -87880,11 +87880,11 @@ - + - - - + + + 89-05-4 InChI=1/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18) C10H6O8 @@ -87897,11 +87897,11 @@ - + - - - + + + 108-45-2 InChI=1/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2 C6H8N2 @@ -87932,11 +87932,11 @@ - + - - - + + + 823-40-5 InChI=1/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3 C7H10N2 @@ -87955,11 +87955,11 @@ - + - - - + + + 95-80-7 InChI=1/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3 C7H10N2 @@ -88033,11 +88033,11 @@ - + - - - + + + 99-63-8 InChI=1/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H C8H4Cl2O2 @@ -88063,11 +88063,11 @@ - + - - - + + + 121-91-5 InChI=1/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12) C8H6O4 @@ -88084,11 +88084,11 @@ - + - - - + + + 1459-93-4 InChI=1/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3 C10H10O4 @@ -88108,11 +88108,11 @@ - + - - - + + + 106-99-0 InChI=1/C4H6/c1-3-4-2/h3-4H,1-2H2 C4H6 @@ -88137,11 +88137,11 @@ - + - - - + + + 87-68-3 InChI=1/C4Cl6/c5-1(3(7)8)2(6)4(9)10 C4Cl6 @@ -88169,11 +88169,11 @@ - + - - - + + + 78-79-5 InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3 C5H8 @@ -88190,11 +88190,11 @@ - + - - - + + + 513-81-5 InChI=1/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3 C6H10 @@ -88210,11 +88210,11 @@ - + - - - + + + 107-88-0 InChI=1/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 C4H10O2 @@ -88232,11 +88232,11 @@ - + - - - + + + 592-57-4 InChI=1/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2 C6H8 @@ -88246,11 +88246,11 @@ - + - - - + + + 99-86-5 InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3 C10H16 @@ -88271,11 +88271,11 @@ - + - - - + + + 542-92-7 InChI=1/C5H6/c1-2-4-5-3-1/h1-4H,5H2 C5H6 @@ -88288,11 +88288,11 @@ - + - - - + + + 77-47-4 InChI=1/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8 C5Cl6 @@ -88318,11 +88318,11 @@ - + - - - + + + 26519-91-5 InChI=1/C6H8/c1-6-4-2-3-5-6/h2,4-5H,3H2,1H3 C6H8 @@ -88333,11 +88333,11 @@ - + - - - + + + 289-95-2 InChI=1/C4H4N2/c1-2-5-4-6-3-1/h1-4H C4H4N2 @@ -88353,11 +88353,11 @@ - + - - - + + + 505-22-6 InChI=1/C4H8O2/c1-2-5-4-6-3-1/h1-4H2 C4H8O2 @@ -88370,11 +88370,11 @@ - + - - - + + + 2004-70-8 InChI=1/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+ C5H8 @@ -88390,11 +88390,11 @@ - + - - - + + + 1574-41-0 InChI=1/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4- C5H8 @@ -88410,11 +88410,11 @@ - + - - - + + + 144-19-4 InChI=1/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3 C8H18O2 @@ -88428,11 +88428,11 @@ - + - - - + + + 109-76-2 InChI=1/C3H10N2/c4-2-1-3-5/h1-5H2 C3H10N2 @@ -88446,11 +88446,11 @@ - + - - - + + + 504-63-2 InChI=1/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2 C3H8O2 @@ -88472,11 +88472,11 @@ - + - - - + + + 77-99-6 InChI=1/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3 C6H14O3 @@ -88506,11 +88506,11 @@ - + - - - + + + 115-77-5 InChI=1/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2 C5H12O4 @@ -88546,11 +88546,11 @@ - + - - - + + + 126-30-7 InChI=1/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3 C5H12O2 @@ -88572,11 +88572,11 @@ - + - - - + + + 108-78-1 InChI=1/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9) C3H6N6 @@ -88610,11 +88610,11 @@ - + - - - + + + 99-35-4 InChI=1/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H C6H3N3O6 @@ -88631,11 +88631,11 @@ - + - - - + + + 110-88-3 InChI=1/C3H6O3/c1-4-2-6-3-5-1/h1-3H2 C3H6O3 @@ -88666,11 +88666,11 @@ - + - - - + + + 106-50-3 InChI=1/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2 C6H8N2 @@ -88728,11 +88728,11 @@ - + - - - + + + 101-54-2 InChI=1/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2 C12H12N2 @@ -88778,11 +88778,11 @@ - + - - - + + + 74-31-7 InChI=1/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H C18H16N2 @@ -88826,11 +88826,11 @@ - + - - - + + + 623-27-8 InChI=1/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H C8H6O2 @@ -88855,11 +88855,11 @@ - + - - - + + + 100-21-0 InChI=1/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12) C8H6O4 @@ -88881,11 +88881,11 @@ - + - - - + + + 120-61-6 InChI=1/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3 C10H10O4 @@ -88907,11 +88907,11 @@ - + - - - + + + 110-63-4 InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2 C4H10O2 @@ -88935,11 +88935,11 @@ - + - - - + + + 628-41-1 InChI=1/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2 C6H8 @@ -88950,11 +88950,11 @@ - + - - - + + + 99-85-4 InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3 C10H16 @@ -88979,11 +88979,11 @@ - + - - - + + + 1076-97-7 InChI=1/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12) C8H12O4 @@ -88996,11 +88996,11 @@ - + - - - + + + 105-08-8 InChI=1/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2 C8H16O2 @@ -89018,11 +89018,11 @@ - + - - - + + + 110-56-5 InChI=1/C4H8Cl2/c5-3-1-2-4-6/h1-4H2 C4H8Cl2 @@ -89033,11 +89033,11 @@ - + - - - + + + 123-91-1 InChI=1/C4H8O2/c1-2-6-4-3-5-1/h1-4H2 C4H8O2 @@ -89078,11 +89078,11 @@ - + - - - + + + 592-45-0 InChI=1/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+ C6H10 @@ -89094,11 +89094,11 @@ - + - - - + + + 591-93-5 InChI=1/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2 C5H8 @@ -89109,11 +89109,11 @@ - + - - - + + + 111-78-4 InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2 C8H12 @@ -89123,11 +89123,11 @@ - + - - - + + + 628-76-2 InChI=1/C5H10Cl2/c6-4-2-1-3-5-7/h1-5H2 C5H10Cl2 @@ -89139,11 +89139,11 @@ - + - - - + + + 592-42-7 InChI=1/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2 C6H10 @@ -89158,11 +89158,11 @@ - + - - - + + + 627-58-7 InChI=1/C8H14/c1-7(2)5-6-8(3)4/h1,3,5-6H2,2,4H3 C8H14 @@ -89176,11 +89176,11 @@ - + - - - + + + 111-29-5 InChI=1/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2 C5H12O2 @@ -89198,11 +89198,11 @@ - + - - - + + + 4904-61-4 InChI=1/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8- C12H18 @@ -89217,11 +89217,11 @@ - + - - - + + + 124-09-4 InChI=1/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2 C6H16N2 @@ -89241,11 +89241,11 @@ - + - - - + + + 629-11-8 InChI=1/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2 C6H14O2 @@ -89261,11 +89261,11 @@ - + - - - + + + 13952-84-6 InChI=1/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3 C4H11N @@ -89292,11 +89292,11 @@ - + - - - + + + 513-53-1 InChI=1/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3 C4H10S @@ -89315,11 +89315,11 @@ - + - - - + + + 78-92-2 InChI=1/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 C4H10O @@ -89352,11 +89352,11 @@ - + - - - + + + 75-85-4 InChI=1/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3 C5H12O @@ -89383,11 +89383,11 @@ - + - - - + + + 598-75-4 InChI=1/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3 C5H12O @@ -89403,11 +89403,11 @@ - + - - - + + + 78-93-3 InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H3 C4H8O @@ -89441,11 +89441,11 @@ - + - - - + + + 563-80-4 InChI=1/C5H10O/c1-4(2)5(3)6/h4H,1-3H3 C5H10O @@ -89465,11 +89465,11 @@ - + - - - + + + 75-97-8 InChI=1/C6H12O/c1-5(7)6(2,3)4/h1-4H3 C6H12O @@ -89496,11 +89496,11 @@ - + - - - + + + 6117-80-2 InChI=1/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1- C4H8O2 @@ -89514,11 +89514,11 @@ - + - - - + + + 110-57-6 InChI=1/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+ C4H6Cl2 @@ -89536,11 +89536,11 @@ - + - - - + + + 513-35-9 InChI=1/C5H10/c1-4-5(2)3/h4H,1-3H3 C5H10 @@ -89565,11 +89565,11 @@ - + - - - + + + 563-79-1 InChI=1/C6H12/c1-5(2)6(3)4/h1-4H3 C6H12 @@ -89585,11 +89585,11 @@ - + - - - + + + 624-64-6 InChI=1/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+ C4H8 @@ -89606,11 +89606,11 @@ - + - - - + + + 590-18-1 InChI=1/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3- C4H8 @@ -89627,11 +89627,11 @@ - + - - - + + + 110-16-7 InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1- C4H4O4 @@ -89654,11 +89654,11 @@ - + - - - + + + 105-76-0 InChI=1/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7- C12H20O4 @@ -89681,11 +89681,11 @@ - + - - - + + + 141-05-9 InChI=1/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5- C8H12O4 @@ -89699,11 +89699,11 @@ - + - - - + + + 624-48-6 InChI=1/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3- C6H8O4 @@ -89723,11 +89723,11 @@ - + - - - + + + 4786-20-3 InChI=1/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+ C4H5N @@ -89754,11 +89754,11 @@ - + - - - + + + 503-17-3 InChI=1/C4H6/c1-3-4-2/h1-2H3 C4H6 @@ -89772,11 +89772,11 @@ - + - - - + + + 110-65-6 InChI=1/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2 C4H6O2 @@ -89794,11 +89794,11 @@ - + - - - + + + 126-99-8 InChI=1/C4H5Cl/c1-3-4(2)5/h3H,1-2H2 C4H5Cl @@ -89853,11 +89853,11 @@ - + - - - + + + 95-57-8 InChI=1/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H C6H5ClO @@ -89875,11 +89875,11 @@ - + - - - + + + 78-59-1 InChI=1/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 C9H14O @@ -89907,11 +89907,11 @@ - + - - - + + + 24848-00-8 InChI=1/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2 C12H22O @@ -89921,11 +89921,11 @@ - + - - - + + + 20063-97-2 InChI=1/C10H20/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6-10H2,1-2H3/b5-3+ C10H20 @@ -89938,11 +89938,11 @@ - + - - - + + + 20348-51-0 InChI=1/C10H20/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6-10H2,1-2H3/b5-3- C10H20 @@ -89955,11 +89955,11 @@ - + - - - + + + 7206-13-5 InChI=1/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5H,4,6-12H2,1-2H3/b5-3+ C12H24 @@ -89972,11 +89972,11 @@ - + - - - + + + 7206-26-0 InChI=1/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5H,4,6-12H2,1-2H3/b5-3- C12H24 @@ -89988,11 +89988,11 @@ - + - - - + + + 111-15-9 InChI=1/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3 C6H12O3 @@ -90047,11 +90047,11 @@ - + - - - + + + 97-95-0 InChI=1/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3 C6H14O @@ -90074,11 +90074,11 @@ - + - - - + + + 578-54-1 InChI=1/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3 C8H11N @@ -90097,11 +90097,11 @@ - + - - - + + + 3404-71-5 InChI=1/C7H14/c1-4-6-7(3)5-2/h3-6H2,1-2H3 C7H14 @@ -90112,11 +90112,11 @@ - + - - - + + + 98-01-1 InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H C5H4O2 @@ -90160,11 +90160,11 @@ - + - - - + + + 98-00-0 InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2 C5H6O2 @@ -90196,11 +90196,11 @@ - + - - - + + + 97-99-4 InChI=1/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2 C5H10O2 @@ -90226,11 +90226,11 @@ - + - - - + + + 543-49-7 InChI=1/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3 C7H16O @@ -90248,11 +90248,11 @@ - + - - - + + + 110-43-0 InChI=1/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 C7H14O @@ -90279,11 +90279,11 @@ - + - - - + + + 14686-13-6 InChI=1/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+ C7H14 @@ -90298,11 +90298,11 @@ - + - - - + + + 626-93-7 InChI=1/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3 C6H14O @@ -90317,11 +90317,11 @@ - + - - - + + + 591-78-6 InChI=1/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3 C6H12O @@ -90341,11 +90341,11 @@ - + - - - + + + 110-12-3 InChI=1/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3 C7H14O @@ -90366,11 +90366,11 @@ - + - - - + + + 645-62-5 InChI=1/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6+ C8H14O @@ -90389,11 +90389,11 @@ - + - - - + + + 4050-45-7 InChI=1/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+ C6H12 @@ -90406,11 +90406,11 @@ - + - - - + + + 7688-21-3 InChI=1/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3- C6H12 @@ -90424,11 +90424,11 @@ - + - - - + + + 764-35-2 InChI=1/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3 C6H10 @@ -90441,11 +90441,11 @@ - + - - - + + + 119-36-8 InChI=1/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3 C8H8O3 @@ -90480,11 +90480,11 @@ - + - - - + + + 868-77-9 InChI=1/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3 C6H10O3 @@ -90511,11 +90511,11 @@ - + - - - + + + 149-30-4 InChI=1/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) C7H5NS2 @@ -90575,11 +90575,11 @@ - + - - - + + + 105-30-6 InChI=1/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3 C6H14O @@ -90595,11 +90595,11 @@ - + - - - + + + 600-07-7 InChI=1/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7) C5H10O2 @@ -90612,11 +90612,11 @@ - + - - - + + + 2177-47-1 InChI=1/C10H10/c1-8-6-9-4-2-3-5-10(9)7-8/h2-6H,7H2,1H3 C10H10 @@ -90628,11 +90628,11 @@ - + - - - + + + 542-55-2 InChI=1/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3 C5H10O2 @@ -90649,11 +90649,11 @@ - + - - - + + + 628-99-9 InChI=1/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3 C9H20O @@ -90667,11 +90667,11 @@ - + - - - + + + 821-55-6 InChI=1/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3 C9H18O @@ -90687,11 +90687,11 @@ - + - - - + + + 498-66-8 InChI=1/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2 C7H10 @@ -90709,11 +90709,11 @@ - + - - - + + + 123-96-6 InChI=1/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3 C8H18O @@ -90737,11 +90737,11 @@ - + - - - + + + 111-13-7 InChI=1/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3 C8H16O @@ -90757,11 +90757,11 @@ - + - - - + + + 13389-42-9 InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+ C8H16 @@ -90776,11 +90776,11 @@ - + - - - + + + 7642-04-8 InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3- C8H16 @@ -90796,11 +90796,11 @@ - + - - - + + + 502-44-3 InChI=1/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2 C6H10O2 @@ -90832,11 +90832,11 @@ - + - - - + + + 674-82-8 InChI=1/C4H4O2/c1-3-2-4(5)6-3/h1-2H2 C4H4O2 @@ -90852,11 +90852,11 @@ - + - - - + + + 6032-29-7 InChI=1/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3 C5H12O @@ -90878,11 +90878,11 @@ - + - - - + + + 108-11-2 InChI=1/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3 C6H14O @@ -90917,11 +90917,11 @@ - + - - - + + + 107-87-9 InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3 C5H10O @@ -90940,11 +90940,11 @@ - + - - - + + + 565-61-7 InChI=1/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3 C6H12O @@ -90959,11 +90959,11 @@ - + - - - + + + 623-36-9 InChI=1/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+ C6H10O @@ -90983,11 +90983,11 @@ - + - - - + + + 625-27-4 InChI=1/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3 C6H12 @@ -91001,11 +91001,11 @@ - + - - - + + + 107-40-4 InChI=1/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3 C8H16 @@ -91019,11 +91019,11 @@ - + - - - + + + 616-12-6 InChI=1/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4+ C6H12 @@ -91037,11 +91037,11 @@ - + - - - + + + 922-62-3 InChI=1/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4- C6H12 @@ -91056,11 +91056,11 @@ - + - - - + + + 674-76-0 InChI=1/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4+ C6H12 @@ -91076,11 +91076,11 @@ - + - - - + + + 691-38-3 InChI=1/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4- C6H12 @@ -91096,11 +91096,11 @@ - + - - - + + + 646-04-8 InChI=1/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+ C5H10 @@ -91115,11 +91115,11 @@ - + - - - + + + 627-20-3 InChI=1/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3- C5H10 @@ -91135,11 +91135,11 @@ - + - - - + + + 627-21-4 InChI=1/C5H8/c1-3-5-4-2/h3H2,1-2H3 C5H8 @@ -91151,11 +91151,11 @@ - + - - - + + + 75-31-0 InChI=1/C3H9N/c1-3(2)4/h3H,4H2,1-2H3 C3H9N @@ -91180,11 +91180,11 @@ - + - - - + + + 75-64-9 InChI=1/C4H11N/c1-4(2,3)5/h5H2,1-3H3 C4H11N @@ -91205,11 +91205,11 @@ - + - - - + + + 108-18-9 InChI=1/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3 C6H15N @@ -91227,11 +91227,11 @@ - + - - - + + + 75-33-2 InChI=1/C3H8S/c1-3(2)4/h3-4H,1-2H3 C3H8S @@ -91249,11 +91249,11 @@ - + - - - + + + 75-66-1 InChI=1/C4H10S/c1-4(2,3)5/h5H,1-3H3 C4H10S @@ -91271,11 +91271,11 @@ - + - - - + + + 78-96-6 InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 C3H9NO @@ -91298,11 +91298,11 @@ - + - - - + + + 96-23-1 InChI=1/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2 C3H6Cl2O @@ -91332,11 +91332,11 @@ - + - - - + + + 116-09-6 InChI=1/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3 C3H6O2 @@ -91357,11 +91357,11 @@ - + - - - + + + 684-16-2 InChI=1/C3F6O/c4-2(5,6)1(10)3(7,8)9 C3F6O @@ -91382,11 +91382,11 @@ - + - - - + + + 107-11-9 InChI=1/C3H7N/c1-2-3-4/h2H,1,3-4H2 C3H7N @@ -91404,11 +91404,11 @@ - + - - - + + + 124-02-7 InChI=1/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2 C6H11N @@ -91423,11 +91423,11 @@ - + - - - + + + 102-70-5 InChI=1/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2 C9H15N @@ -91441,11 +91441,11 @@ - + - - - + + + 107-18-6 InChI=1/C3H6O/c1-2-3-4/h2,4H,1,3H2 C3H6O @@ -91486,11 +91486,11 @@ - + - - - + + + 107-02-8 InChI=1/C3H4O/c1-2-3-4/h2-3H,1H2 C3H4O @@ -91531,11 +91531,11 @@ - + - - - + + + 78-85-3 InChI=1/C4H6O/c1-4(2)3-5/h3H,1H2,2H3 C4H6O @@ -91562,11 +91562,11 @@ - + - - - + + + 107-13-1 InChI=1/C3H3N/c1-2-3-4/h2H,1H2 C3H3N @@ -91607,11 +91607,11 @@ - + - - - + + + 126-98-7 InChI=1/C4H5N/c1-4(2)3-5/h1H2,2H3 C4H5N @@ -91637,11 +91637,11 @@ - + - - - + + + 79-10-7 InChI=1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5) C3H4O2 @@ -91662,11 +91662,11 @@ - + - - - + + + 2998-08-5 InChI=1/C7H12O2/c1-4-6(3)9-7(8)5-2/h5-6H,2,4H2,1,3H3 C7H12O2 @@ -91678,11 +91678,11 @@ - + - - - + + + 103-11-7 InChI=1/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3 C11H20O2 @@ -91704,11 +91704,11 @@ - + - - - + + + 818-61-1 InChI=1/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2 C5H8O3 @@ -91726,11 +91726,11 @@ - + - - - + + + 79-41-4 InChI=1/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6) C4H6O2 @@ -91753,11 +91753,11 @@ - + - - - + + + 97-86-9 InChI=1/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3 C8H14O2 @@ -91776,11 +91776,11 @@ - + - - - + + + 96-05-9 InChI=1/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3 C7H10O2 @@ -91798,11 +91798,11 @@ - + - - - + + + 97-63-2 InChI=1/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3 C6H10O2 @@ -91825,11 +91825,11 @@ - + - - - + + + 80-62-6 InChI=1/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3 C5H8O2 @@ -91870,11 +91870,11 @@ - + - - - + + + 2210-28-8 InChI=1/C7H12O2/c1-4-5-9-7(8)6(2)3/h2,4-5H2,1,3H3 C7H12O2 @@ -91889,11 +91889,11 @@ - + - - - + + + 106-63-8 InChI=1/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3 C7H12O2 @@ -91910,11 +91910,11 @@ - + - - - + + + 141-32-2 InChI=1/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3 C7H12O2 @@ -91932,11 +91932,11 @@ - + - - - + + + 140-88-5 InChI=1/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3 C5H8O2 @@ -91967,11 +91967,11 @@ - + - - - + + + 96-33-3 InChI=1/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3 C4H6O2 @@ -92000,11 +92000,11 @@ - + - - - + + + 925-60-0 InChI=1/C6H10O2/c1-3-5-8-6(7)4-2/h4H,2-3,5H2,1H3 C6H10O2 @@ -92018,11 +92018,11 @@ - + - - - + + + 107-19-7 InChI=1/C3H4O/c1-2-3-4/h1,4H,3H2 C3H4O @@ -92047,11 +92047,11 @@ - + - - - + + + 616-45-5 InChI=1/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6) C4H7NO @@ -92086,11 +92086,11 @@ - + - - - + + + 872-50-4 InChI=1/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3 C5H9NO @@ -92128,11 +92128,11 @@ - + - - - + + + 112-34-5 InChI=1/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3 C8H18O3 @@ -92176,11 +92176,11 @@ - + - - - + + + 15687-27-1 InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) C13H18O2 @@ -92243,11 +92243,11 @@ - + - - - + + + 4265-25-2 InChI=1/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3 C9H8O @@ -92260,11 +92260,11 @@ - + - - - + + + 111-76-2 InChI=1/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3 C6H14O2 @@ -92317,11 +92317,11 @@ - + - - - + + + 108-55-4 InChI=1/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2 C5H6O3 @@ -92335,11 +92335,11 @@ - + - - - + + + 4390-04-9 InChI=1/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3 C16H34 @@ -92351,11 +92351,11 @@ - + - - - + + + 513-85-9 InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3 C4H10O2 @@ -92369,11 +92369,11 @@ - + - - - + + + 78-88-6 InChI=1/C3H4Cl2/c1-3(5)2-4/h1-2H2 C3H4Cl2 @@ -92389,11 +92389,11 @@ - + - - - + + + 16746-86-4 InChI=1/C8H16/c1-5-6-8(4)7(2)3/h8H,2,5-6H2,1,3-4H3 C8H16 @@ -92404,11 +92404,11 @@ - + - - - + + + 591-96-8 InChI=1/C5H8/c1-3-5-4-2/h3-4H,1-2H3 C5H8 @@ -92419,11 +92419,11 @@ - + - - - + + + 764-13-6 InChI=1/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3 C8H14 @@ -92438,11 +92438,11 @@ - + - - - + + + 5194-51-4 InChI=1/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4+ C6H10 @@ -92454,11 +92454,11 @@ - + - - - + + + 5194-50-3 InChI=1/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3-,6-4+ C6H10 @@ -92471,11 +92471,11 @@ - + - - - + + + 625-69-4 InChI=1/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3 C5H12O2 @@ -92490,11 +92490,11 @@ - + - - - + + + 107-41-5 InChI=1/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3 C6H14O2 @@ -92517,11 +92517,11 @@ - + - - - + + + 4032-94-4 InChI=1/C10H22/c1-5-6-7-10(4)8-9(2)3/h9-10H,5-8H2,1-4H3 C10H22 @@ -92531,11 +92531,11 @@ - + - - - + + + 77-79-2 InChI=1/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2 C4H6O2S @@ -92553,11 +92553,11 @@ - + - - - + + + 108-31-6 InChI=1/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H C4H2O3 @@ -92580,11 +92580,11 @@ - + - - - + + + 616-02-4 InChI=1/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3 C5H4O3 @@ -92604,11 +92604,11 @@ - + - - - + + + 108-30-5 InChI=1/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H2 C4H4O3 @@ -92632,11 +92632,11 @@ - + - - - + + + 123-56-8 InChI=1/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7) C4H5NO2 @@ -92657,11 +92657,11 @@ - + - - - + + + 112-49-2 InChI=1/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3 C8H18O4 @@ -92679,11 +92679,11 @@ - + - - - + + + 2051-30-1 InChI=1/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3 C10H22 @@ -92693,11 +92693,11 @@ - + - - - + + + 1141-38-4 InChI=1/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16) C12H8O4 @@ -92707,11 +92707,11 @@ - + - - - + + + 814-78-8 InChI=1/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3 C5H8O @@ -92728,11 +92728,11 @@ - + - - - + + + 109-75-1 InChI=1/C4H5N/c1-2-3-4-5/h2H,1,3H2 C4H5N @@ -92755,11 +92755,11 @@ - + - - - + + + 620-23-5 InChI=1/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3 C8H8O @@ -92773,11 +92773,11 @@ - + - - - + + + 121-32-4 InChI=1/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3 C9H10O3 @@ -92805,11 +92805,11 @@ - + - - - + + + 620-17-7 InChI=1/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3 C8H10O @@ -92823,11 +92823,11 @@ - + - - - + + + 106-35-4 InChI=1/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3 C7H14O @@ -92849,11 +92849,11 @@ - + - - - + + + 14686-14-7 InChI=1/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+ C7H14 @@ -92866,11 +92866,11 @@ - + - - - + + + 589-38-8 InChI=1/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3 C6H12O @@ -92885,11 +92885,11 @@ - + - - - + + + 13269-52-8 InChI=1/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+ C6H12 @@ -92902,11 +92902,11 @@ - + - - - + + + 7642-09-3 InChI=1/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5- C6H12 @@ -92919,11 +92919,11 @@ - + - - - + + + 928-49-4 InChI=1/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3 C6H10 @@ -92935,11 +92935,11 @@ - + - - - + + + 110-67-8 InChI=1/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3 C4H7N @@ -92958,11 +92958,11 @@ - + - - - + + + 19269-28-4 InChI=1/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3 C7H14O @@ -92972,11 +92972,11 @@ - + - - - + + + 5911-04-6 InChI=1/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3 C10H22 @@ -92987,11 +92987,11 @@ - + - - - + + + 14919-01-8 InChI=1/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+ C8H16 @@ -93005,11 +93005,11 @@ - + - - - + + + 14850-22-7 InChI=1/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5- C8H16 @@ -93023,11 +93023,11 @@ - + - - - + + + 2807-30-9 InChI=1/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3 C5H12O2 @@ -93049,11 +93049,11 @@ - + - - - + + + 584-02-1 InChI=1/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3 C5H12O @@ -93070,11 +93070,11 @@ - + - - - + + + 77-74-7 InChI=1/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3 C6H14O @@ -93089,11 +93089,11 @@ - + - - - + + + 96-22-0 InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3 C5H10O @@ -93116,11 +93116,11 @@ - + - - - + + + 565-69-5 InChI=1/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3 C6H12O @@ -93134,11 +93134,11 @@ - + - - - + + + 565-80-0 InChI=1/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3 C7H14O @@ -93153,11 +93153,11 @@ - + - - - + + + 141-79-7 InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3 C6H10O @@ -93190,11 +93190,11 @@ - + - - - + + + 122-97-4 InChI=1/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 C9H12O @@ -93218,11 +93218,11 @@ - + - - - + + + 100-54-9 InChI=1/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H C6H4N2 @@ -93241,11 +93241,11 @@ - + - - - + + + 107-96-0 InChI=1/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5) C3H6O2S @@ -93265,11 +93265,11 @@ - + - - - + + + 92-67-1 InChI=1/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2 C12H11N @@ -93297,11 +93297,11 @@ - + - - - + + + 156-43-4 InChI=1/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3 C8H11NO @@ -93329,11 +93329,11 @@ - + - - - + + + 108-82-7 InChI=1/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3 C9H20O @@ -93347,11 +93347,11 @@ - + - - - + + + 123-19-3 InChI=1/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 C7H14O @@ -93368,11 +93368,11 @@ - + - - - + + + 108-83-8 InChI=1/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3 C9H18O @@ -93399,11 +93399,11 @@ - + - - - + + + 123-42-2 InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 C6H12O2 @@ -93439,11 +93439,11 @@ - + - - - + + + 17301-94-9 InChI=1/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3 C10H22 @@ -93455,11 +93455,11 @@ - + - - - + + + 14850-23-8 InChI=1/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+ C8H16 @@ -93475,11 +93475,11 @@ - + - - - + + + 7642-15-1 InChI=1/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7- C8H16 @@ -93493,11 +93493,11 @@ - + - - - + + + 2628-17-3 InChI=1/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2 C8H8O @@ -93511,11 +93511,11 @@ - + - - - + + + 77-73-6 InChI=1/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2 C10H12 @@ -93536,11 +93536,11 @@ - + - - - + + + 502-56-7 InChI=1/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3 C9H18O @@ -93555,11 +93555,11 @@ - + - - - + + + 1191-25-9 InChI=1/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9) C6H12O3 @@ -93570,11 +93570,11 @@ - + - - - + + + 148-24-3 InChI=1/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H C9H7NO @@ -93611,11 +93611,11 @@ - + - - - + + + 112-62-9 InChI=1/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10- C19H36O2 @@ -93650,11 +93650,11 @@ - + - - - + + + 84-65-1 InChI=1/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H C14H8O2 @@ -93676,11 +93676,11 @@ - + - - - + + + 60-33-3 InChI=1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- C18H32O2 @@ -93714,11 +93714,11 @@ - + - - - + + + 463-40-1 InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+ C18H30O2 @@ -93734,11 +93734,11 @@ - + - - - + + + 57-57-8 InChI=1/C3H4O2/c4-3-1-2-5-3/h1-2H2 C3H4O2 @@ -93775,11 +93775,11 @@ - + - - - + + + 83-46-5 InChI=1/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20?,21?,23-,24?,25?,26?,27?,28?,29?/m0/s1 C29H50O @@ -93811,11 +93811,11 @@ - + - - - + + + 791-28-6 InChI=1/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H C18H15OP @@ -93830,11 +93830,11 @@ - + - - - + + + 821-11-4 InChI=1/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+ C4H8O2 @@ -93846,11 +93846,11 @@ - + - - - + + + 103-30-0 InChI=1/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+ C14H12 @@ -93884,11 +93884,11 @@ - + - - - + + + 766-90-5 InChI=1/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2- C9H10 @@ -93907,11 +93907,11 @@ - + - - - + + + 6443-92-1 InChI=1/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3- C7H14 @@ -93924,11 +93924,11 @@ - + - - - + + + 7642-10-6 InChI=1/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5- C7H14 @@ -93940,11 +93940,11 @@ - + - - - + + + 645-49-8 InChI=1/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11- C14H12 @@ -93971,11 +93971,11 @@ - + - - - + + + 5989-27-5 InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 C10H16 @@ -94004,11 +94004,11 @@ - + - - - + + + 10294-40-3 InChI=1/Ba.Cr.4O BaCrO4 @@ -94030,11 +94030,11 @@ - + - - - + + + 5454-79-5 InChI=1/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+/m1/s1 C7H14O @@ -94045,11 +94045,11 @@ - + - - - + + + 1305-79-9 InChI=1/Ca.O2/c;1-2/q+2;-2 CaO2 @@ -94066,11 +94066,11 @@ - + - - - + + + 1314-18-7 O2Sr cyc-SrO2 @@ -94078,11 +94078,11 @@ - + - - - + + + 108-42-9 InChI=1/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2 C6H6ClN @@ -94110,11 +94110,11 @@ - + - - - + + + 99-09-2 InChI=1/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2 C6H6N2O2 @@ -94152,11 +94152,11 @@ - + - - - + + + 92-06-8 InChI=1/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H C18H14 @@ -94175,11 +94175,11 @@ - + - - - + + + 142-96-1 InChI=1/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3 C8H18O @@ -94200,11 +94200,11 @@ - + - - - + + + 629-97-0 InChI=1/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3 C22H46 @@ -94215,11 +94215,11 @@ - + - - - + + + 112-40-3 InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3 C12H26 @@ -94236,11 +94236,11 @@ - + - - - + + + 5634-30-0 InChI=1/C17H34/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-17/h17H,2-16H2,1H3 C17H34 @@ -94250,11 +94250,11 @@ - + - - - + + + 629-94-7 InChI=1/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3 C21H44 @@ -94265,11 +94265,11 @@ - + - - - + + + 593-49-7 InChI=1/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3 C27H56 @@ -94279,11 +94279,11 @@ - + - - - + + + 14752-75-1 InChI=1/C23H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h16,18-19,21-22H,2-15,17,20H2,1H3 C23H40 @@ -94295,11 +94295,11 @@ - + - - - + + + 1078-71-3 InChI=1/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3 C13H20 @@ -94313,11 +94313,11 @@ - + - - - + + + 5617-42-5 InChI=1/C12H24/c1-2-3-4-5-6-9-12-10-7-8-11-12/h12H,2-11H2,1H3 C12H24 @@ -94327,11 +94327,11 @@ - + - - - + + + 630-01-3 InChI=1/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3 C26H54 @@ -94341,11 +94341,11 @@ - + - - - + + + 6812-39-1 InChI=1/C21H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-21/h21H,2-20H2,1H3 C21H42 @@ -94355,11 +94355,11 @@ - + - - - + + + 630-06-8 InChI=1/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3 C36H74 @@ -94369,11 +94369,11 @@ - + - - - + + + 1077-16-3 InChI=1/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3 C12H18 @@ -94386,11 +94386,11 @@ - + - - - + + + 630-03-5 InChI=1/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3 C29H60 @@ -94400,11 +94400,11 @@ - + - - - + + + 2882-98-6 InChI=1/C14H28/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-14/h14H,2-13H2,1H3 C14H28 @@ -94415,11 +94415,11 @@ - + - - - + + + 2189-60-8 InChI=1/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3 C14H22 @@ -94433,11 +94433,11 @@ - + - - - + + + 1795-20-6 InChI=1/C13H26/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h13H,2-12H2,1H3 C13H26 @@ -94447,11 +94447,11 @@ - + - - - + + + 629-99-2 InChI=1/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3 C25H52 @@ -94461,11 +94461,11 @@ - + - - - + + + 355-42-0 InChI=1/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20 C6F14 @@ -94484,11 +94484,11 @@ - + - - - + + + 109-60-4 InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3 C5H10O2 @@ -94510,11 +94510,11 @@ - + - - - + + + 2315-68-6 InChI=1/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 C10H12O2 @@ -94526,11 +94526,11 @@ - + - - - + + + 646-31-1 InChI=1/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3 C24H50 @@ -94540,11 +94540,11 @@ - + - - - + + + 1795-22-8 InChI=1/C19H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-19/h19H,2-18H2,1H3 C19H38 @@ -94554,11 +94554,11 @@ - + - - - + + + 638-68-6 InChI=1/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3 C30H62 @@ -94568,11 +94568,11 @@ - + - - - + + + 638-67-5 InChI=1/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3 C23H48 @@ -94582,11 +94582,11 @@ - + - - - + + + 6006-34-4 InChI=1/C18H36/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-18/h18H,2-17H2,1H3 C18H36 @@ -94596,11 +94596,11 @@ - + - - - + + + 95-51-2 InChI=1/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2 C6H6ClN @@ -94622,11 +94622,11 @@ - + - - - + + + 88-74-4 InChI=1/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2 C6H6N2O2 @@ -94679,11 +94679,11 @@ - + - - - + + + 84-15-1 InChI=1/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H C18H14 @@ -94697,11 +94697,11 @@ - + - - - + + + 106-51-4 InChI=1/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H C6H4O2 @@ -94731,11 +94731,11 @@ - + - - - + + + 106-47-8 InChI=1/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 C6H6ClN @@ -94762,11 +94762,11 @@ - + - - - + + + 106-48-9 InChI=1/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H C6H5ClO @@ -94784,11 +94784,11 @@ - + - - - + + + 100-01-6 InChI=1/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2 C6H6N2O2 @@ -94839,11 +94839,11 @@ - + - - - + + + 92-94-4 InChI=1/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H C18H14 @@ -94864,11 +94864,11 @@ - + - - - + + + 106-49-0 InChI=1/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3 C7H9N @@ -94895,11 +94895,11 @@ - + - - - + + + 106-42-3 InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 C8H10 @@ -94919,11 +94919,11 @@ - + - - - + + + 599-64-4 InChI=1/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3 C15H16O @@ -94947,11 +94947,11 @@ - + - - - + + + 625-60-5 InChI=1/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3 C4H8OS @@ -94968,11 +94968,11 @@ - + - - - + + + 3178-22-1 InChI=1/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3 C10H20 @@ -94985,11 +94985,11 @@ - + - - - + + + 25360-10-5 InChI=1/C9H20S/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3 C9H20S @@ -95000,11 +95000,11 @@ - + - - - + + + 7443-55-2 InChI=1/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7-/m1/s1 C7H14O @@ -95015,11 +95015,11 @@ - + - - - + + + 2487-90-3 InChI=1/C3H10O3Si/c1-4-7(5-2)6-3/h7H,1-3H3 C3H10O3Si diff --git a/OntoCAPE/material/substance/macromolecules.owl b/OntoCAPE/material/substance/macromolecules.owl index 2374f9b..ea1574b 100644 --- a/OntoCAPE/material/substance/macromolecules.owl +++ b/OntoCAPE/material/substance/macromolecules.owl @@ -1,19 +1,19 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:polymers="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/polymers.owl#" + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#" + xmlns:macromolecules="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/macromolecules.owl"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -21,13 +21,13 @@ The ontology module 'macromolecules' provides a few examples of macromolecules in order to demonstrate the usage of the module 'polymers'. The following classes and relations are instantiated within 'macromolecules': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/polymers.owl#End-Group"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/polymers.owl#Macromolecule"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/polymers.owl#RepeatingUnit"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#CAS_RegistryNumber"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#molecularFormula"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#name"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#containsDirectly"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/polymers.owl#End-Group"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/polymers.owl#Macromolecule"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/polymers.owl#RepeatingUnit"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#CAS_RegistryNumber"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#molecularFormula"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#name"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#containsDirectly"/> 2.0 @@ -45,27 +45,27 @@ The following classes and relations are instantiated within 'macromolecules - + - + - + - + - + - + - + - + @@ -80,21 +80,21 @@ The following classes and relations are instantiated within 'macromolecules - + - + - + - + - + - + @@ -109,36 +109,36 @@ The following classes and relations are instantiated within 'macromolecules - + - - + + ·CH2-OH - + - - + + 25322-68-3 HO-(CH2-CH2-O)n-H PEG PEO Polyethylene glycol Polyethylene oxide - - + + 44.05 C2H4O - + - - + + ·CH2-O-CH2· diff --git a/OntoCAPE/material/substance/molecular_structure.owl b/OntoCAPE/material/substance/molecular_structure.owl index b110a74..edb7a5d 100644 --- a/OntoCAPE/material/substance/molecular_structure.owl +++ b/OntoCAPE/material/substance/molecular_structure.owl @@ -1,23 +1,23 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:der_dim="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#" + xmlns:molecular_structure="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/molecular_structure.owl" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -26,21 +26,21 @@ The ontology module 'molecular_structure' is concerned with the characterization of pure substances at the atomic scale. The following classes, relations, and individuals from other ontology modules are used within 'molecular_structure': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#MolecularEntity"> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#PhysicalConstant"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#MolecularEntity"> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#PhysicalConstant"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#ScalarValue"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#MolecularEntity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#ScalarValue"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#MolecularEntity"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#uniqueSubstanceID"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#contains"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDimension"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasValue"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isValueOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#numericalValue"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#uniqueSubstanceID"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#contains"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDimension"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasValue"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isValueOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#numericalValue"/> -<der_dim:ElectricityAndMagnetism rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#electric_charge"/> +<der_dim:ElectricityAndMagnetism rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#electric_charge"/> 2.0 @@ -58,13 +58,13 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + - - + + @@ -80,12 +80,12 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + - + The atomicNumber (also known as the proton number) is the number of protons found in the nucleus of an Atom. @@ -103,53 +103,53 @@ The following classes, relations, and individuals from other ontology modules ar - + - + - + - - + + - + An Anion is a monoatomic or polyatomic species having one or more elementary charges of the electron (McNaught & Wilkinson, 1997). - + - - - + + + - + 0 - + The smallest particle still characterizing a chemical element (McNaught & Wilkinson, 1997). - + - + - + - - + + @@ -159,60 +159,60 @@ The following classes, relations, and individuals from other ontology modules ar - + - - - - + + + + A HeteroatomicMolecularEntity is a MolecularEntity consisting of two or more [distinct] chemical elements. [http://www.ebi.ac.uk/ontology-lookup/browse.do?ontName=CHEBI, CHEBI:37577] - + - - + + A HomoatomicMolecularEntity is a MolecularEntity consisting of one or more Atoms of the same element. [http://www.ebi.ac.uk/ontology-lookup/browse.do?ontName=CHEBI, CHEBI:33259] - + - - - + + + - + - + - + - - + + - - + + - + 1 @@ -221,92 +221,92 @@ The following classes, relations, and individuals from other ontology modules ar - + - + - - + + - + - + - - + + A linked collection of Atoms or a single Atom within a MolecularEntity. - + - - + + - + 0 - + A Molecule is an electrically neutral PolyatomicEntity "An electrically neutral entity consisting of more than one atom" [IUPAC o.J.] - + - + - + - - + + - - + + - + A MonoatomicAnion is a MonoatomicEntity that has a NegativeIonicCharge. - + - + - + - - + + - - + + A MonoatomicCation is a MonoatomicEntity that has a PositiveIonicCharge. @@ -314,42 +314,42 @@ The following classes, relations, and individuals from other ontology modules ar - + - + - - + + - - + + - + 0 - + A MolecularEntity consisting of a single Atom [http://www.ebi.ac.uk/ontology-lookup/browse.do?ontName=CHEBI, CHEBI:33238] - + - + - + - - + + @@ -357,20 +357,20 @@ The following classes, relations, and individuals from other ontology modules ar - - + + - - + + - + 1 @@ -379,60 +379,60 @@ The following classes, relations, and individuals from other ontology modules ar - + - - - + + + - + - + - + - - + + - - + + - + A PolyatomicAnion is an Anion consisting of more than one Atom. [http://www.ebi.ac.uk/ontology-lookup/browse.do?ontName=CHEBI, CHEBI:33273] - + - + - + - - + + - - + + A PolyatomicCation is an Cation consisting of more than one Atom. @@ -441,39 +441,39 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + Any MolecularEntity consisting of more than one Atom is a PolyatomicEntity [http://www.ebi.ac.uk/ontology-lookup/browse.do?ontName=CHEBI, CHEBI:36357] - + - + - + - - + + - - + + - + 1 @@ -483,32 +483,32 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + - + - + - - + + - - + + - + 1 @@ -527,80 +527,80 @@ The following classes, relations, and individuals from other ontology modules ar - + - - - - + + + + The ElementaryCharge is a fundamental PhysicalConstant that denotes the electric charge carried by a single proton, or equivalently, the negative of the electric charge carried by a single electron. - + - - + + - + - - + + -3.204353E-19 _-2e is a ScalarValue; it is defined by the equation _-2e = (-2) * e - + - - + + -4.8065294E-19 _-3e is a ScalarValue; it is defined by the equation _-3e = (-3) * e - + - - + + 1.6021765E-19 _-e is a ScalarValue; it is defined by the equation _-e = (-1) * e - + - - + + 3.204353E-19 _2e is a ScalarValue; it is defined by the equation _2e = 2 * e. - + - - + + 4.8065294E-19 _3e is a ScalarValue; it is defined by the equation _3e = 3 * e. - + - - - + + + 1.6021765E-19 The ScalarValue e represents the value of the ElementaryCharge. @@ -618,17 +618,17 @@ The following classes, relations, and individuals from other ontology modules ar - - - + + + - - - + + + diff --git a/OntoCAPE/material/substance/polymers.owl b/OntoCAPE/material/substance/polymers.owl index 2a2921f..3b39f7e 100644 --- a/OntoCAPE/material/substance/polymers.owl +++ b/OntoCAPE/material/substance/polymers.owl @@ -1,23 +1,23 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:polymers="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/polymers.owl" + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl" + xmlns:molecular_structure="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/molecular_structure.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -26,13 +26,13 @@ The ontology module 'polymers' extends the module 'molecular_structure' by concepts for the description of macromolecular structures. The following classes, relations, and individuals from other ontology modules are used within 'polymers': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/molecular_structure.owl#MolecularGroup"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/molecular_structure.owl#Molecule"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#ChemicalSpecies"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/molecular_structure.owl#MolecularGroup"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/molecular_structure.owl#Molecule"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#ChemicalSpecies"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#hasMolecularStructure"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#hasMacroscopicAppearance"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#containsDirectly"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#hasMolecularStructure"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#hasMacroscopicAppearance"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#containsDirectly"/> 2.0 @@ -50,90 +50,90 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + A MolecularGroup comprising a part of the essential structure of a Macromolecule. - + - - + + An End-Group is a ConstitutionalUnit that is an extremity of a Macromolecule or OligomerMolecule (McNaught & Wilkinson, 1997). - + - - + + - - + + - - + + - - + + - - + + A Molecule of high MolecularWeight, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low MolecularWeight (McNaught & Wilkinson, 1997) - + - - + + - - + + - - + + A Substance composed of MonomerMolecules (McNaught & Wilkinson, 1997). - + - - + + - - + + - + A Molecule which can undergo polymerization thereby contributing ConstitutionalUnits to the essential structure of a Macromolecule (McNaught & Wilkinson, 1997). - + - - + + A MonomerUnit is the largest ConstitutionalUnit contributed by a single monomer molecule (IUPAC) A MonomerUnit is a ConstitutionalUnit resulting from a monomer residue which has been polymerized. In contrast, a RepeatingUnit, is the shortest sequence that can be found repeatedly in a Macromolecule. @@ -142,30 +142,30 @@ In contrast, a RepeatingUnit, is the shortest sequence that can be found repeate - + - - + + - - + + - + A Substance composed of OligomerMolecules (McNaught & Wilkinson, 1997). - + - - + + - - + + A Molecule of intermediate MolecularWeight, the structure of which essentially comprises a small plurality of units derived, actually or conceptually, from Molecules of lower MolecularWeight. A Molecule is regarded as having an intermediate MolecularWeight if it has properties which do vary significantly with the removal of one or a few of the units. (McNaught & Wilkinson, 1997). @@ -173,14 +173,14 @@ In contrast, a RepeatingUnit, is the shortest sequence that can be found repeate - + - - + + - - + + A Substance composed of Macromolecules (McNaught & Wilkinson, 1997). @@ -188,10 +188,10 @@ In contrast, a RepeatingUnit, is the shortest sequence that can be found repeate - + - - + + A RepeatingUnit is the shortest ConstitutionalUnit that can be found repeatedly in a Macromolecule. diff --git a/OntoCAPE/material/substance/reaction_mechanism.owl b/OntoCAPE/material/substance/reaction_mechanism.owl index cfe567f..1429951 100644 --- a/OntoCAPE/material/substance/reaction_mechanism.owl +++ b/OntoCAPE/material/substance/reaction_mechanism.owl @@ -1,25 +1,25 @@ - - - + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#" + xmlns:reaction_mechanism="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/reaction_mechanism.owl#" + xmlns:molecular_structure="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/molecular_structure.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:fundamental_concepts1="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -28,21 +28,21 @@ The ontology module 'reaction_mechanism' provides concpts for modeling the mechanism and the stoichiometry of chemical reactions. The following classes and relations from other ontology modules are used within 'reaction_mechanism': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#ChemicalComponent"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#ChemicalSpecies"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#MolecularEntity"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#ChemicalComponent"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#ChemicalSpecies"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#MolecularEntity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isComposedOfSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectlyRelatedTo"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isExclusivelySubsystemOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isComposedOfSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectlyRelatedTo"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isExclusivelySubsystemOf"/> The following classes and relations from the Meta Model are refined within 'reaction_mechanism': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#UniqueOriginN-aryRelation"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#hasTargetObject"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#isOriginOf"/> -<owl:DatatypeProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#relationAttribute"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#UniqueOriginN-aryRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#hasTargetObject"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#isOriginOf"/> +<owl:DatatypeProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#relationAttribute"/> @@ -58,16 +58,16 @@ The following classes and relations from the Meta Model are refined within &apos - + - - - + + + - - + + @@ -76,16 +76,16 @@ The following classes and relations from the Meta Model are refined within &apos - + - - - + + + - - + + @@ -94,27 +94,27 @@ The following classes and relations from the Meta Model are refined within &apos - + - - - - + + + + - + - - + + - + - - + + @@ -123,39 +123,39 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - + - + - + - + - + - + - + - + - + - + @@ -170,20 +170,20 @@ The following classes and relations from the Meta Model are refined within &apos - + - - - + + + The attribute stoichiometricValue specifies the numerical value of a StoichiometricCoefficient. It is positive for products and negative for reactants. - + - + @@ -198,18 +198,18 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - + - - + + @@ -217,12 +217,12 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + @@ -230,12 +230,12 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + @@ -243,12 +243,12 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + @@ -256,25 +256,25 @@ The following classes and relations from the Meta Model are refined within &apos - - + + - + 1 - + 1 - + 2 @@ -283,62 +283,62 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - + - - + + - + - - + + - + 2 - + A CompositeReaction is a ChemicalReaction that can be decomposed into several ElementaryReactions. Examples are parallel reactions (simultaneously occurring ElementaryReactions that form different products from a single set of reactants) and stepwise reactions (a set of consecutive ElementaryReactions with at least one reaction intermediate). - + - + - + - - + + - - + + - + 1 @@ -347,63 +347,63 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - + - - + + - - + + - + - - + + - + - - + + - - + + - + - - - + + + - + - - + + @@ -411,19 +411,19 @@ The following classes and relations from the Meta Model are refined within &apos - - + + - + 1 - + 1 @@ -432,33 +432,33 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - + - + - + - + - + - + - + - + diff --git a/OntoCAPE/material/substance/reaction_type.owl b/OntoCAPE/material/substance/reaction_type.owl index cd2ece0..d2c3374 100644 --- a/OntoCAPE/material/substance/reaction_type.owl +++ b/OntoCAPE/material/substance/reaction_type.owl @@ -1,25 +1,25 @@ - - - - + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#" + xmlns:reaction_type="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/reaction_type.owl" + xmlns:substance_class="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#" + xmlns:chemical_species="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl" + xmlns:reaction_mechanism="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/reaction_mechanism.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -27,26 +27,26 @@ The ontology module 'reaction_type' defines some important types of chemical reactions, such as esterification or hydrohalogenation. The following classes, relations, and individuals from other ontology modules are used within 'reaction_type': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/reaction_mechanism.owl#ChemicalReaction"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance_class.owl#Alcohol"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance_class.owl#Aldehyde"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance_class.owl#Alkene"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance_class.owl#Amine"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance_class.owl#CarbonylCompound"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance_class.owl#CarboxylicAcid"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance_class.owl#Cyanohydrin"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance_class.owl#Ester"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance_class.owl#Haloalkane"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance_class.owl#HydrogenHalide"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance_class.owl#Imine"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance_class.owl#Ketone"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance_class.owl#PeroxyAcid"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/reaction_mechanism.owl#ChemicalReaction"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#Alcohol"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#Aldehyde"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#Alkene"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#Amine"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#CarbonylCompound"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#CarboxylicAcid"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#Cyanohydrin"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#Ester"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#Haloalkane"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#HydrogenHalide"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#Imine"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#Ketone"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl#PeroxyAcid"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/reaction_mechanism.owl#hasProduct"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/reaction_mechanism.owl#hasReactant"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/reaction_mechanism.owl#hasProduct"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/reaction_mechanism.owl#hasReactant"/> -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#Hydrogen__peroxide"/> -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#Water"/> +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#Hydrogen__peroxide"/> +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#Water"/> @@ -62,18 +62,18 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + - + - - + + @@ -81,12 +81,12 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + @@ -94,12 +94,12 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + @@ -107,25 +107,25 @@ The following classes, relations, and individuals from other ontology modules ar - - + + - + 2 - + 2 - - - + + + The aldol reaction is an important carbon-carbon bond forming reaction in organic chemistry [1, 2, 3] involving the addition of an enol or enolate anion to an aldehyde or ketone [4, 5, 6]. The enol or enolate is itself generated from a carbonyl compound, often an aldehyde or ketone, using acid or base. It is a multi-step reaction that occurs either in enol-mode or enolate-mode. @@ -158,36 +158,36 @@ Enolate mode: - + - + - - + + - - + + - - + + - + - + - - + + @@ -195,12 +195,12 @@ Enolate mode: - + 2 - - + + "Alkylimino-de-oxo-bisubstitution is the reaction of carbonyl compounds with amines to imines [...] With primary amines water is lost in an elimination reaction to an imine [...] Secondary amines do not loose water because they do not have a proton available and instead they often react further to an aminal or when an α-carbonyl proton is present to an enamine." [Wikipedia, 2006] @@ -210,28 +210,28 @@ R-NH2 + (C=O)R2 ⇌ R(C=N)R2 + H2O - + - + - + - - + + - - + + - - + + @@ -240,31 +240,31 @@ R-NH2 + (C=O)R2 ⇌ R(C=N)R2 + H2O - - + + - - + + - - + + - + 2 - + 2 @@ -277,30 +277,30 @@ R'-CO-R'' + H2O2 ⇌ R'-COO-R'' + H2O< - + - - + + - - + + - + - - + + - + A Cyanohydrin reaction is an organic reaction by an aldehyde or ketone with a cyanide anion or a nitrile to form a cyanohydrin. Aldehyde or ketone + nitrile + X ⇌ cyanohydrin + Y @@ -309,16 +309,16 @@ R'-(C=O)-R'' + R-C≡N + X ⇌ R'-(HO-C-C≡N)- - + - + - + - - + + @@ -337,32 +337,32 @@ Esters can be formed in several ways: - + - + - + - - + + - - + + - + - - + + @@ -370,19 +370,19 @@ Esters can be formed in several ways: - - + + - + 2 - + 2 @@ -392,54 +392,54 @@ R-OH + R'-COOH ⇌ R-COO-R' + H2O - + - + - - + + - - + + - + - - + + - + 2 - + - - + + - - + + - + 1 @@ -451,43 +451,43 @@ R-CH=CH2 + HX → R-CHX-CH3 - + - - + + Organic reactions are chemical reactions involving organic compounds [Wikipedia, 2006] - + - + - + - - + + - - + + - + - - + + - + 2 @@ -495,18 +495,18 @@ R-CH=CH2 + HX → R-CHX-CH3 - - + + - + - - + + @@ -514,7 +514,7 @@ R-CH=CH2 + HX → R-CHX-CH3 - + 2 @@ -526,81 +526,81 @@ R'-COO-R'' + R-OH ⇌ R-COO-R' + R''-OH + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -615,15 +615,15 @@ R'-COO-R'' + R-OH ⇌ R-COO-R' + R''-OH + - + - + - + diff --git a/OntoCAPE/material/substance/substance.owl b/OntoCAPE/material/substance/substance.owl index cadcf21..f9f97b9 100644 --- a/OntoCAPE/material/substance/substance.owl +++ b/OntoCAPE/material/substance/substance.owl @@ -1,23 +1,23 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:der_dim="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:phys_dim="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#" + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -26,23 +26,23 @@ The ontology module 'substance'provides essential concepts for the description of pure substances and mixtures, primarily at the macroscopic scale. The following classes, relations, individuals from other ontology modules are used within 'substance': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#ScalarQuantity"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#ScalarValue"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#UnitOfMeasure"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#ScalarQuantity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#ScalarValue"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#UnitOfMeasure"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#containsDirectly"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDimension"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasProperty"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasUnitOfMeasure"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasValue"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectlyRelatedTo"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isPropertyOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#containsDirectly"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDimension"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasProperty"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasUnitOfMeasure"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasValue"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectlyRelatedTo"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isPropertyOf"/> -<der_dim:Mechanics rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#pressure"/> -<phys_dim:DerivedDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#molar_volume"/> -<phys_dim:DerivedDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#molecular_mass"/> -<phys_dim:BaseDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#thermodynamic_temperature"/> +<der_dim:Mechanics rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#pressure"/> +<phys_dim:DerivedDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#molar_volume"/> +<phys_dim:DerivedDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#molecular_mass"/> +<phys_dim:BaseDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#thermodynamic_temperature"/> 2.0 @@ -61,23 +61,23 @@ The following classes, relations, individuals from other ontology modules are us - + - - - - - + + + + + - + - - - - + + + + The relation hasMolecularStructure points from a ChemicalSpecies (describing a substance form a macroscopic perspective) to the corresponding MolecularEntity (describing the same pure substance from a molecular perspective). @@ -94,10 +94,10 @@ The following classes, relations, individuals from other ontology modules are us - + - - + + A CAS_RegistryNumber is a uniqueSubstanceID issued by the Chemical Abstracts Service (CAS) a division of the American Chemical Society. A CAS_RegistryNumber can be assigned to ChemicalSpecies as well as to some Mixtures. A CAS_RegistryNumber includes up to 9 digits, which are separated into 3 groups by hyphens (xxxxxx-xx-x). The first part of the number, starting from the left, has up to 6 digits; the second part has 2 digits. The final part consists of a single check digit or checksum that makes it easy to determine whether a CAS number is valid or not. @@ -106,10 +106,10 @@ See http://www.cas.org/EO/regsys.html for details. - + - - + + The IUPAC International Chemical Identifier (InChI) is a non-proprietary identifier for chemical substances that can be used in printed and electronic data sources thus enabling easier linking of diverse data and information compilations (Stein et al., 2003). InChI does not require the establishment of a registry system. Unlike the CAS Registry System, it does not depend on the existence of a database of unique substance records to establish the next number for any new MolecularEntity being assigned an InChI. It uses a set of IUPAC structure conventions, and rules for normalization and canonicalization of the structure representation to establish a unique label for a MolecularEntity. @@ -118,20 +118,20 @@ For reference, see http://www.iupac.org/inchi/ - + - - + + SMILES (Simplified Molecular Input Line Entry System) is a line notation for unambiguously describing the structure of chemical molecules using ASCII strings. - + - - + + The Wiswesser line notation (WLN), also known as Wiswesser line formula, is a precise and concise means of expressing structural formulas as character strings. The basic idea is to use letter symbols to denote functional groups and numbers to express the lengths of chains and the sizes of rings. For details, refer to Smith (1968). @@ -139,34 +139,34 @@ For reference, see http://www.iupac.org/inchi/ - + - - - + + + canonicalSMILES is the version of the SMILES specification that applies canonicalization rules to ensure that each ChemicalSpecies has a single, unique SMILES representation. - + - - + + A canonicalStructuralFomula is a structuralFormula that is generated by means of canonicalization algorithms to obtain a unique representation of a MolecularEntity. - + - + - - + + @@ -176,10 +176,10 @@ For reference, see http://www.iupac.org/inchi/ - + - - + + An empiricalFormula is a chemicalFormula that indicates the relative number of each constituting chemical element of a MolecularEntity. In an empiricalFormula, the letters representing the chemical elements are listed according to the following convention: In organic compounds, C is always cited first, H second and then the rest, in alphabetical order. In non-carbon-containing compounds, strict alphabetical order is adhered to. @@ -187,31 +187,31 @@ In an empiricalFormula, the letters representing the chemical elements are liste - + - - - + + + isomericSMILES is the version of the SMILES specification that includes extensions to support the specification of isotopes, chirality, and configuration about double bonds. - + - - + + An isomericStructuralFormula is a structuralFormula that allows to distinguish the different isomers of a MolecularEntity. - + - - + + A molecularFormula is a chemicalFormula that specifies the (absolute) number of constituting atoms of a MolecularEntity, without indicating how they are linked. @@ -222,20 +222,20 @@ For ions, the charge on a particular atom may be denoted with a right-hand &apos - + - - + + The different names of a Substance. Both trivial and systematic names can be indicated here. - + - - + + A structuralFormula is a chemicalFormula that supplies information about the types of bonds and the spatial arrangement of the atoms of a MolecularEntity using a linear string notation. @@ -243,19 +243,19 @@ For ions, the charge on a particular atom may be denoted with a right-hand &apos - + - - + + A substanceID is a precise identifier for a Substance. A substanceID must be unambiguous, but it is not necessarily unique. - + - - + + A uniqueSubstanceID is a unique identifier for a Substance. @@ -273,44 +273,44 @@ For ions, the charge on a particular atom may be denoted with a right-hand &apos - + - + - - + + - + - - + + - - + + The class ChemicalComponent subsumes ChemicalSpecies and PseudoComponents. - + - - + + - - + + - + 1 @@ -319,78 +319,78 @@ For ions, the charge on a particular atom may be denoted with a right-hand &apos - + - - + + - - + + - + 1 - + 1 - + 1 - + 1 - + 1 - + 1 - + A ChemicalSpecies represents pure Substances at the macroscopic scale. It consists of an “ensemble of chemically identical molecular entities […]. The term is applied equally to a set of chemically identical atomic or molecular structural units in a solid array. […] The wording of the definition […] is intended to embrace both cases such as graphite, sodium chloride or a surface oxide, where the basic structural units may not be capable of isolated existence, as well as those cases where they are.” (McNaught & Wilkinson, 1997). - + - - + + - + - + - + - + - - + + @@ -403,40 +403,40 @@ For ions, the charge on a particular atom may be denoted with a right-hand &apos - - + + - - - - - + + + + + The CriticalMolarVolume is the volume of one mole of a substance at the CriticalTemperature and CriticalPressure. - + - - + + - + - + - + - + - - + + @@ -449,39 +449,39 @@ For ions, the charge on a particular atom may be denoted with a right-hand &apos - - + + - - - - + + + + The minimum pressure which would suffice to liquefy a Substance at its CriticalTemperature. Above the CriticalPressure, increasing the temperature will not cause a fluid to vaporize to give a two-phase system (McNaught & Wilkinson, 1997). - + - - + + - + - + - + - + - - + + @@ -494,36 +494,36 @@ For ions, the charge on a particular atom may be denoted with a right-hand &apos - - + + - - - + + + That temperature, characteristic of each gas, above which it is not possible to liquefy a given gas (McNaught & Wilkinson, 1997). The CriticalTemperature of a material is the temperature above which distinct liquid and gas phases do not exist. As the CriticalTemperature is approached, the properties of the gas and liquid phases become the same. Above the CriticalTemperature, there is only one phase. [Wikipedia, 2006] - + - - + + - - + + - + 0 - + A Mixture is a Substance that contains two or more ChemicalComponents. The mixture class can represent two different things: (a) a loose collection of segregate chemical components, or (b) a compound material formed by several blended chemical components. @@ -532,49 +532,49 @@ The composition of a Mixture is not fixed. - + - - + + - - + + - + 1 - + 1 - + 1 - + 1 - + 1 - + 1 @@ -583,26 +583,26 @@ The composition of a Mixture is not fixed. - + - - + + - + - + - + - + - - + + @@ -615,30 +615,30 @@ The composition of a Mixture is not fixed. - - + + - - + + Ratio of the mass of one molecule of a Substance, relative to the unified atomic mass unit (which is equal to 1/12 the mass of one atom of carbon-12). Also known as (relative) molar mass or (relative) molecular mass. - + - - + + - + 0 - + 0 @@ -647,19 +647,19 @@ The composition of a Mixture is not fixed. - + - - + + - + 1 - + 1 @@ -668,26 +668,26 @@ The composition of a Mixture is not fixed. - + - - + + - + - + - + - + - - + + @@ -700,36 +700,36 @@ The composition of a Mixture is not fixed. - - + + - + The triple point of a Substance is given by the temperature and pressure at which three phases (gas, liquid, and solid) of that Substance coexist in thermodynamic equilibrium. - + - - + + - + - + - + - + - - + + @@ -742,8 +742,8 @@ The composition of a Mixture is not fixed. - - + + The triple point of a Substance is given by the temperature and pressure at which three phases (gas, liquid, and solid) of that Substance coexist in thermodynamic equilibrium. diff --git a/OntoCAPE/material/substance/substance_class.owl b/OntoCAPE/material/substance/substance_class.owl index 943ba10..8039931 100644 --- a/OntoCAPE/material/substance/substance_class.owl +++ b/OntoCAPE/material/substance/substance_class.owl @@ -1,26 +1,26 @@ - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl" + xmlns:system1="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:substance="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#" + xmlns:substance_class="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance_class.owl" + xmlns:chemical_species="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#" + xmlns:molecular_structure="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/molecular_structure.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -29,29 +29,29 @@ The module 'substance_class' is concerned with the classification of pure substances. The follwoing classes, relations, and individuals from other ontology modules are used within 'substance_class': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/molecular_structure.owl#Ion"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/molecular_structure.owl#MolecularGroup"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#ChemicalSpecies"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#Mixture"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#MolecularEntity"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#contains"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#containsDirectly"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#hasMolecularStructure"/> -<owl:DatatypeProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/substance.owl#structuralFormula"/> - -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#_1-Butanol"/> -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#Acetic__acid"/> -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#Ethanol"/> -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#Ethyl__acetate"/> -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#Hydrogen__bromide"/> -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#Hydrogen__chloride"/> -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#Hydrogen__fluoride"/> -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#Hydrogen__iodide"/> -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#Methyl__alcohol"/> -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#Nitric__acid"/> -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#Phosphoric__acid"/> -<substance:ChemicalSpecies rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/substance/chemical_species.owl#Sulfuric__acid"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/molecular_structure.owl#Ion"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/molecular_structure.owl#MolecularGroup"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#ChemicalSpecies"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#Mixture"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#MolecularEntity"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#contains"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#containsDirectly"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#hasMolecularStructure"/> +<owl:DatatypeProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/substance.owl#structuralFormula"/> + +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#_1-Butanol"/> +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#Acetic__acid"/> +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#Ethanol"/> +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#Ethyl__acetate"/> +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#Hydrogen__bromide"/> +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#Hydrogen__chloride"/> +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#Hydrogen__fluoride"/> +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#Hydrogen__iodide"/> +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#Methyl__alcohol"/> +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#Nitric__acid"/> +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#Phosphoric__acid"/> +<substance:ChemicalSpecies rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/substance/chemical_species.owl#Sulfuric__acid"/> @@ -68,9 +68,9 @@ - + - + @@ -85,14 +85,14 @@ - + - - + + - - + + An alcohol is any organic compound in which a hydroxyl group (-OH) is attached to a saturated carbon atom. @@ -101,14 +101,14 @@ Formula: R-OH - + - - + + - - + + An aldehyde is an organic compound containing a terminal carbonyl group. This functional group, which consists of a carbon atom which is bonded to a hydrogen atom and double-bonded to an oxygen atom, is called the aldehyde group. @@ -120,42 +120,42 @@ R-C-H - + - - - - - + + + + + Acyclic branched or unbranched hydrocarbons having two carbon-carbon double bonds. - + - - + + - - + + - - + + An alkane is an acyclic saturated hydrocarbon. In other words, an alkane is a (possibly branched) chain of carbon linked together by single bonds. Formula: CnH2n+2 - + - - - - + + + + Acyclic branched or unbranched hydrocarbons having one carbon–carbon double bond and the general formula CnH2n. Acyclic branched or unbranched hydrocarbons having more than one double bond are alkadienes, alkatrienes, etc. [IUPAC Compendium of Chemical Terminology, 1997] Formula: R-C=C-R' @@ -163,14 +163,14 @@ Formula: R-C=C-R' - + - - + + - - + + An alkoxide is the conjugate base of an alcohol, and therefore has an organic group bonded to a negatively charged oxygen atom. They can be written as RO-, where R is any organic substituent. Alkoxides are both strong bases and good nucleophiles (unless R is very bulky, creating steric hinderence). Alkoxides, though generally not stable in protic solvents such as water, are found as intermediaries in various reactions, including the Williamson ether synthesis reaction for forming ethers. @@ -180,37 +180,37 @@ Formula: R-C=C-R' - + - - + + - - + + - + Alkynes are hydrocarbons that have at least one triple bond between two carbon atoms. The alkynes are traditionally known as acetylenes, although the name acetylene is also used to refer specifically to the simplest member of the series, known officially as ethyne. Formula: R-C≡C-R' - + - - + + - + - + - - + + @@ -219,24 +219,24 @@ Formula: R-C≡C-R' - + 2 - + An alloy is a homogeneous mixture of two or more ChemicalSpecies, at least one of which is a Metal, and where the resulting material has metallic properties. The resulting metallic substance usually has different properties (sometimes substantially different) from those of its components. [adopted from Wikipedia, 2007] - + - - + + - - + + An amide is an organic compound that contains a carbonyl group (C=O) linked to a nitrogen atom (N). @@ -251,20 +251,20 @@ where either or both R' and R'' may be hydrogen. - + - - + + - - + + - - + + Compounds formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups, and having the general structures R-NH2 (primary amines), R2-NH (secondary amines), R3-N (tertiary amines). [IUPAC Compendium of Chemical Terminology, 2nd Edition, 1997] @@ -274,59 +274,59 @@ where either or both R' and R'' may be hydrogen. - + - + - - - + + + - - - + + + A functional group that contains nitrogen as the key atom. Structurally amines resemble ammonia, wherein one or more hydrogen atoms are replaced by organic substituents such as alkyl and aryl groups. An important exception to this rule are amides, where a carbonyl group (C=O) is linked to the nitrogen atom. - + - - - + + + In the context of organic molecules, aryl refers to any functional group or substituent derived from a simple aromatic ring. There are more specific terms, such as phenyl, to describe unsubstituted aryl groups and subsets of aryl groups (as well as arbitrarily substituted groups: see IUPAC nomenclature), but "aryl" is used for the sake of abbreviation or generalization. [Wikipedia, 2006] - + - - - + + + Brent Crude is one of the major classifications of oil consisting of Brent Crude, Brent Sweet Light Crude, Oseberg and Forties. Brent Crude is sourced from the North Sea. Brent blend is a light crude oil, though not as light as West Texas Intermediate (WTI). It contains approximately 0.37% of sulfur, classifying it as sweet crude, yet again not as sweet as WTI. [Wikipedia, 2007] - + - - + + In organic chemistry, a carbonyl group is a functional group composed of a carbon atom double-bonded to an oxygen atom. The term carbonyl can also refer to carbon monoxide as a ligand in an inorganic or organometallic complex (e.g. nickel carbonyl); in this situation, carbon is triple-bonded to oxygen. The remainder of this article concerns itself with the organic chemistry definition of carbonyl. - + - - + + An organic compound that contains a carbonyl group (C=O). The follwing types of compounds are carbonyl compounds: - Aldehydes @@ -341,10 +341,10 @@ The follwing types of compounds are carbonyl compounds: - + - - + + A carbonyl group is a functional group composed of a carbon atom double-bonded to an oxygen atom (C=O). It characterizes the following types of compounds (where CO denotes carbonyl group): - Aldehyde RCHO - Ketone RCOR' @@ -358,15 +358,15 @@ The follwing types of compounds are carbonyl compounds: - + - - - + + + - - + + Carboxylate esters are organic compounds in which an organic group replaces the hydrogen atom of a carboxyl group. @@ -378,15 +378,15 @@ R-C-O-R' - + - - - + + + - - + + Carboxylic acids are oxoacids characterized by the presence of a carboxyl group @@ -402,23 +402,23 @@ Compounds may also have two or more carboxylic acid groups per molecule. - + - - + + CrudeOil is a naturally occurring liquid found in formations in the Earth consisting of a complex mixture of hydrocarbons (mostly alkanes) of various lengths. The approximate length range is C5H12 to C18H38. Any shorter hydrocarbons are considered natural gas or natural gas liquids, while long-chain hydrocarbons are more viscous, and the longest chains are paraffin wax. In its naturally occurring form, it may contain other nonmetallic elements such as sulfur, oxygen, and nitrogen. [Wikipedia, 2007] - + - - + + - - + + Carbon hydrates with a Cyanate end group. @@ -427,20 +427,20 @@ Formula: R-O-C≡N - + - - + + - - + + - - + + A cyanohydrin (or hydroxynitrile) is an organic compound that contains both a @@ -453,24 +453,24 @@ OH - + - - - + + + A cycloalkene is an cyclic hydrocarbon contianing one carbon–carbon double bonds but having no aromatic character - + - - + + - - + + Enol (or, more officially, but less commonly: alkenol) is an alkene with hydroxyl group on one of the carbon atoms of the double bond. @@ -478,19 +478,19 @@ OH - + - - + + When the hydroxyl group (−OH) in an enol loses a hydrogen ion (H+), a negative enolate ion is formed. Enolates can exist in quantitative amounts in strictly Brønsted acid free conditions, since they are generally very basic. [Wikipedia, 2006] - + - - + + Compounds formally derived from an oxoacid [...] and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter. [IUPAC Compendium of Chemical Terminology, Electronic version, http://goldbook.iupac.org/E02219.html. ] Formula: R-O-R' Formal formation reaction: R-OH + OH-R' → R-O-R' + H2O @@ -498,14 +498,14 @@ Formal formation reaction: R-OH + OH-R' → R-O-R' + H2O + - - + + - - + + Ether is the general name for a class of chemical compounds which contain an ether group. @@ -516,56 +516,56 @@ Formula: R-O-R' (where R, R' ≠ H). - + - - + + "Organic compounds are thought of as consisting of a relatively unreactive backbone, for example a chain of hybridized carbon atoms, and one or several functional groups. The functional group is an atom, or a group of atoms that has similar chemical properties whenever it occurs in different compounds. It defines the characteristic physical and chemical properties of families of organic compounds." [IUPAC Compendium of Chemical Terminology, Electronic version, http://goldbook.iupac.org/F02555.html.] - + - - + + A halide is a binary compound, of which one part is a halogen atom and the other part is an element or radical that is less electronegative than the halogen, to make a fluoride, chloride, bromide, iodide, or astatide compound. - + - - + + A haloalkane, also known as alkyl halogenide, halogenalkane or halogenoalkane, and alkyl halide is a chemical compound derived from an alkane by substituting one or more hydrogen atoms with halogen atoms. Substitution with fluorine, chlorine, bromine and iodine results in fluoroalkanes, chloroalkanes, bromoalkanes and iodoalkanes, respectively. [Wikipedia, 2006] - + - - + + The halogens are a chemical series. They are the elements in Group 17 (old-style: VII or VIIA) of the periodic table: fluorine (F), chlorine (Cl), bromine (Br), iodine (I), astatine (At) and the as yet undiscovered ununseptium (Uus) [...]. These elements are diatomic molecules in their natural form. [Wikipedia, 2006] - + - + - - - - + + + + - + Hydrogen halides (or hydrohalic acids) are acids resulting from the chemical reaction of hydrogen with one of the halogen elements (fluorine, chlorine, bromine, iodine), which are found in group VII of the periodic table. (Astatine is not included in the list because it is very rare, unstable and not found as the acid in substantial quantities.) Thus, the hydrogen halides are: - hydrogen fluoride @@ -577,24 +577,24 @@ They are acids because of their ability to release hydronium ions (H3O+) in wate - + - - + + A peroxide that has the skeleton ROOH, in which R is any organyl group. - + - - + + - - + + An imine is a chemical compound containing a carbon-nitrogen double bond. @@ -606,33 +606,33 @@ R-C-R'' (where R' and R'' might be H atoms) + - - + + ChemicalSpecies that contains carbon but is considered inorganic for historical rasons - + - - - + + + - + - - + + - - + + A ketone is a chemical compound that contains a ketone group (C=O) which is linked to two other carbon atoms. @@ -642,23 +642,23 @@ Formula: R-(C=O)-R' - + - - + + A metal is an element that readily loses electrons to form positive ions (cations) and has metallic bonds between metal atoms. Metals form ionic bonds with non-metals. They are sometimes described as a lattice of positive ions surrounded by a cloud of delocalized electrons. The metals are one of the three groups of elements as distinguished by their ionization and bonding properties, along with the metalloids and nonmetals. On the periodic table, a diagonal line drawn from boron (B) to polonium (Po) separates the metals from the nonmetals. Most elements on this line are metalloids, sometimes called semi-metals; elements to the lower left are metals; elements to the upper right are nonmetals. [Wikipedia, 2007] - + - - + + - - + + A nitrile is any organic compound which has a nitrile (-C≡N) functional group. @@ -667,14 +667,14 @@ Formula: R-C≡N - + - - + + - - + + Acyclic and cyclic hydrocarbons having one or more carbon–carbon double bonds, apart from the formal ones in aromatic compounds. The class olefins subsumes alkenes and cycloalkenes and the corresponding polyenes. [IUPAC Compendium of Chemical Terminology, 2nd Edition, 1997] @@ -682,14 +682,14 @@ Formula: R-C≡N - + - - + + - - + + An OrganicCompound is any member of a large class of chemical compounds whose molecules contain carbon; for historical reasons, a few types of compounds such as carbonates, carbon oxides and cyanides, as well as elemental carbon are considered inorganic. [Wikipedia, 2007] @@ -697,28 +697,28 @@ Formula: R-C≡N - + - - + + - - + + - - + + - - + + @@ -734,10 +734,10 @@ R-C-R'-C-OH - + - - + + An oxoacid is an acid has an -OH group from which the hydrogen (H) can dissociate as an H+ ion. More precisely, an oxocid 1. contains oxygen; 2. contains at least one other element; @@ -749,14 +749,14 @@ Formula: R-(OH)n, n>1 - + - - + + - - + + In organic chemistry, peroxide is a molecule with the general sturture R-O-O-R' @@ -764,10 +764,10 @@ Formula: R-(OH)n, n>1 - + - - + + A peroxy acid (often spelt as one word ie. peroxyacid) is an acid in which an acidic -OH group has been replaced by an -OOH group. They are formed chiefly by elements in groups 14, 15 and 16 of the periodic table, but boron and certain transition elements are also known to form peroxy acids. Sulfur and phosphorus form the largest range of peroxy acids, including some condensed form such as peroxydiphosphoric acid, H4P2O8 and peroxydisulfuric acid, H2S2O8. [Wikipedia, 2006] @@ -776,13 +776,13 @@ Formula: R-(OH)n, n>1 - + - - + + - + 2 @@ -791,44 +791,44 @@ Formula: R-(OH)n, n>1 - + - - + + Polyenes are poly-unsaturated organic compounds that contain one or more sequences of alternating double and single carbon-carbon bonds. - + - - + + - - + + - - + + Primary amines arise when one of the three hydrogen atoms in ammonia is replaced by an organic substituent. Formula: R-NH2 - + - - + + - - + + - + Secondary amines arise when two of the three hydrogen atoms in ammonia are replaced by organic substituents. R' | @@ -837,14 +837,14 @@ R-N-H - + - - + + - - + + n tertiary amines all three hydrogen atoms in ammonia are replaced by organic substituents. @@ -856,10 +856,10 @@ R-N-R'' - + - - + + West Texas Intermediate (WTI), also known as Texas Sweet Light, is a type of crude oil used as a benchmark in oil pricing and the underlying commodity of New York Mercantile Exchange's oil futures contracts. This is usually the type referenced in Western news reports about oil prices, alongside North Sea Brent Crude. WTI is a light crude, lighter than Brent Crude. It contains about 0.24% sulfur, rating it a sweet crude, again sweeter than Brent. [Wikipedia, 2007] @@ -876,106 +876,106 @@ R-N-R'' - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + ·(C=O)-H An aldehyde group is a functional group consisting of a carbon atom which is bonded to a hydrogen atom and double-bonded to an oxygen atom. The aldehyde group is may also be called formyl grop or methanoyl group. @@ -983,50 +983,50 @@ The aldehyde group is may also be called formyl grop or methanoyl group. + - - + + ·(HC=CH)· The alkenyl group is a functional group consisting of two double-bonded carbon molecules. - + - - + + ·(CnH2n+1) An alkyl group consists of single-bonded carbon and hydrogen atoms arranged in a chain. The alkyls form a homologous series with the general formula CnH2n+1. Examples include methyl (CH3·) and butyl (C4H9·). - + - - + + ·C≡C· The alkynyl group is a functional group consisting of two triple-bonded carbon molecules. - + - - + + ·(C=O)-N: An amide group is an organic functional group characterized by a carbonyl group (C=O) linked to a nitrogen atom (N) - + - - + + ·(C=O)-OH O || @@ -1035,10 +1035,10 @@ The aldehyde group is may also be called formyl grop or methanoyl group. + - - + + ·(C=O)-O· A (carboxylate) ester group consists of a carbon atom that is and two oxygen atoms; the oxygen atoms are double bonded to an oxygen atom and single bonded to another oxygen atom: O @@ -1048,20 +1048,20 @@ The aldehyde group is may also be called formyl grop or methanoyl group. + - - + + ·O-C≡N The cyanate functional (end) group consists of one oxygen atom, one carbon atom, and one nitrogen atom. - + - - + + ·O· A functional group with an oxygen atom Formula: R-O-R' (where R, R' ≠ H). @@ -1069,20 +1069,20 @@ Formula: R-O-R' (where R, R' ≠ H). - + - - + + ·OH The term hydroxyl group is used to describe the functional group -OH when it is a substituent in an organic compound. Organic molecules containing a hydroxyl group are known as alcohols (the simplest of which have the formula CnH2n+1-OH). [Wikipedia, 2006] - + - - + + :C=(NH)· An imine is a functional group containing a carbon-nitrogen double bond. The following structures can be distinguished. @@ -1111,49 +1111,49 @@ R-C-H - + - - + + ·(C=O)· A ketone group is characterized by a carbonyl group (C=O) linked to two other carbon atoms. - + - - + + ·C≡N The nitrile group is a functional (end) group with a carbon atom and a nitrogen atom triple-bonded together. It is sometimes referred to as a cyanide group or cyano group. - + - - + + ·O-O· - + - - + + ·C6H5 The phenyl group, C6H5, is derived from benzene. The six carbon atoms are arranged in a cyclic manner. - + - - + + ·NH2 R-N-H | @@ -1162,10 +1162,10 @@ R-C-H - + - - + + :NH R-N-R' | @@ -1174,10 +1174,10 @@ R-C-H - + - - + + :N· R-N-R' | @@ -1186,20 +1186,20 @@ R-C-H - + - - + + ·CH3C6H4 The tolyl group, CH3C6H4, is derived from toluene (methylbenzene). - + - - + + ·(CH3)2C6H3 The xylyl group, (CH3)2C6H3, is derived from xylene (dimethylbenzene). diff --git a/OntoCAPE/model/cost_model.owl b/OntoCAPE/model/cost_model.owl index d08890e..5ab9827 100644 --- a/OntoCAPE/model/cost_model.owl +++ b/OntoCAPE/model/cost_model.owl @@ -1,24 +1,24 @@ - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:econ_perf="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl#" + xmlns:cost_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/cost_model.owl" + xmlns:mathematical_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -26,15 +26,15 @@ The ontology module 'cost_model' establishes some mathematical models for predicting the (investment) costs of chemical plants. The follwoing classes and relations from other ontology modules are used within 'cost_model': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl#EconomicPerformance"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl#Costs"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl#FixedCapitalInvestment"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/mathematical_model.owl#MathematicalModel"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/mathematical_model.owl#ModelVariable"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/mathematical_model.owl#correspondsToQuantity"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/mathematical_model.owl#hasModelVariable"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#models"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl#EconomicPerformance"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl#Costs"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_performance/economic_performance.owl#FixedCapitalInvestment"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#MathematicalModel"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#ModelVariable"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#correspondsToQuantity"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#hasModelVariable"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#models"/> 2.0 @@ -52,15 +52,15 @@ The follwoing classes and relations from other ontology modules are used within - + - + - + - + @@ -75,33 +75,33 @@ The follwoing classes and relations from other ontology modules are used within - + - - - - + + + + CapacityFCIModels are based on FixedCapitalInvestments of past design projects that are similar to the current ChemicalProcessSystem. Besides, some relating factors (e.g. turn-over ratio), exponential power ratios or more complex relations are given. - + - + - + - + - + - - + + @@ -115,45 +115,45 @@ The follwoing classes and relations from other ontology modules are used within - + - - - + + + Detailed-itemFCIModel requires careful determination of all individual direct and indirect cost items. For such models, extensive data and large amounts of engineering time are necessary. Therefore, this type of estimate is almost exclusively prepared by contractors bidding on complete and all-inclusive work from finished drawings and specifications. - + - - - + + + Within DifferentialFactorialModels, different factors are used for the costs of the FixedCapitalInvestment. Examples are modular estimate models, where individual modules consisting of a group of similar items are considered separately and their costs are then summarized. [Guthrie, K.: Data and techniques for preliminary capital cost estimation, Chemical Engineering 24 (3), pp. 114-142, 1969] - + - + - + - - + + - - + + An EconomicPerformanceModel models the EconomicPerformance of a ChemicalProcessSystem. @@ -161,31 +161,31 @@ The follwoing classes and relations from other ontology modules are used within - + - - + + FactorialFCIModels rely on the fact that the percentages of the different costs within the FixedCapitalInvestment are similar for different ChemicalProcessSystems. Based on one or several known costs (for example the equipment costs), the fixed capital investment is estimated using some factors that are derived from cost records, published data and experience. - + - + - + - + - + - - + + @@ -199,10 +199,10 @@ The follwoing classes and relations from other ontology modules are used within - + - - + + A GlobalFactorialModel estimates the FixedCapitalIinvestment by multiplying the basic EquipmentCost by some factor. This factor depends among other things on the type of chemical process involved, required materials of construction, and the location of the ChemicalProcessSystem realization. Examples for global factors are the ones proposed by [Lang47]. This model can be extended to calculate the TotalCapitalInvestment. Lang, H.J.: Engineering Approach to Preliminary Cost Estimates, Chemical Engineering, pp. 130-133 (September 1947). @@ -210,32 +210,32 @@ Lang, H.J.: Engineering Approach to Preliminary Cost Estimates, Chemical Enginee - + - - - - + + + + The PowerFactorModel relates the fixed capital investment of a new chemical process system to the one of similar, previously constructed systems by an exponential power ratio. [Peters, M.S. and Timmerhaus, K.D.: Plant Design and Economics for Chemical Engineers, McGraw-Hill, New York, 1991] - + - - + + The SixTenthsRuleModel is a PowerFactorModel with x=0.6. - + - - - + + + StepCountingModel are based on the assumption that the FixedCapitalInvestment can be estimated from the number of process steps (depending on the specific approach, composite process steps or unit operations and reactions are used) multiplied with the costs per process step and some correcting factors. The costs of the process steps are estimated from their capacity and some other factors. [Vogt, M.: Neuere Methoden der Investitionsrechnung in der Chemischen Industrie, Diploma thesis, Technische Universität Berlin, 1996] Step Counting Model @@ -243,10 +243,10 @@ Lang, H.J.: Engineering Approach to Preliminary Cost Estimates, Chemical Enginee - + - - + + The TurnoverRatioModel is a fast evaluation method for order-of-magnitude estimates. The turnover ratio is defined as the ratio of gross annual sales to FixedCapitalInvestment. Values of turnover ratios for different types of chemical processes are for example given by [Schembra91] and [Vogt96]. Schembra, M. (1991). Daten und Methoden zur Vorkalkulation des Anlagekapitalbedarfs von Chemieanlagen, PhD thesis Technische Universität Berlin. Vogt, M. (1996). Neuere Methoden der Investitionsrechnung in der Chemischen Industrie, Diploma thesis, Technische Universität Berlin. @@ -254,24 +254,24 @@ Vogt, M. (1996). Neuere Methoden der Investitionsrechnung in der Chemischen Indu - + - - + + Unit-costEstimateModels are based on detailed estimates of the main purchase costs for a CPS_realization (either obtained from quotations or from cost records and published data). - + - + - + - + diff --git a/OntoCAPE/model/equation_system.owl b/OntoCAPE/model/equation_system.owl index 885c7dc..faa77a9 100644 --- a/OntoCAPE/model/equation_system.owl +++ b/OntoCAPE/model/equation_system.owl @@ -1,18 +1,18 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:equation_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/equation_system.owl" + xmlns:mathematical_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -21,10 +21,10 @@ The ontolog module 'equation_system' provides concepts for the description of the model equations that constitute a mathematical model. The following classes and relations from other ontology modules are used within 'equation_system': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/mathematical_model.owl#MathematicalModel"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#FixedValueSet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#MathematicalModel"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#FixedValueSet"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> 2.0 @@ -42,82 +42,82 @@ The following classes and relations from other ontology modules are used within - + - - - - + + + + Indicates an EquationSystemCharacteristic of type DAE_explicitness. - + - - + + - - + + - + Indicates an EquationSystemCharacteristic of type Linearity - + - - - - + + + + Indicates an EquationSystemCharacteristic of type ModelRepresentationForm - + - - - - + + + + Indicates an EquationSystemCharacteristic of type NumericalStiffness - + - - - - + + + + Indicates an EquationSystemCharacteristic of type ODE_Explicitness. - + - - - - + + + + Indicates an EquationSystemCharacteristic of type VariablesType - + - + @@ -132,20 +132,20 @@ The following classes and relations from other ontology modules are used within - + - - + + The attribute represents the differential index of a DAE system, as defined by Gear & Petzold (1984). - + - - + + The attribute differentialOrder denotes the order of a differential equation, which is defined as the order of the highest derivative of a ModelVariable appearing in the differential equation @@ -163,140 +163,140 @@ The following classes and relations from other ontology modules are used within - + - + - - + + - + - - + + - - + + - + 1 - - + + An AlgebraicEquationSystem is a MathematicalModel which solely consists of algebraic equations. - + - + - - + + - - - - - - + + + + + + Characterizes the explicitness of a DAE system - + - + - - + + - + - - + + - - + + - - + + - - + + - + 1 - + 1 - + 1 - + A DifferentialAlgebraicEquationSystem (DAE system) is a MathematicalModel that comprises both algebraic and differential equations. - + - + - - + + - + - + 1 @@ -305,71 +305,71 @@ The following classes and relations from other ontology modules are used within - + - - + + The EquationSystemCharacteristics characterize the model equations of a MathematicalModel. - + - + - + - - + + - + A LinearAlgebraicSystem is an AlgebraicSystem which contains only linear equations. - + - + - - + + - - - - - + + + + + Characterizes the linearity of a (Differential)AlgebrailEquationSystem. - + - + - - + + - - - - + + + + A MathematicalModel may appear in two forms, as indicated by the ModelRepresentationForm: - An open-form model is solved by an external algorithm. One can freely choose the inputs and outputs of the open-form model. - A closed-form model includes an underlying numerical algorithm that solves the model equations. The algorithm accepts only a fixed set of input variables, and consequently returns only a fixed set of output variables. @@ -377,16 +377,16 @@ The following classes and relations from other ontology modules are used within - + - + - + - - + + @@ -396,130 +396,130 @@ The following classes and relations from other ontology modules are used within - + - + - - + + - - - + + + In mathematics, a stiff equation is a differential equation for which certain numerical methods for solving the equation are numerically unstable, unless the step size is taken to be extremely small. It has proved difficult to formulate a precise definition of stiffness, but the main idea is that the equation includes some terms that can lead to rapid variation in the solution (Wikipedia, 2007). - + - + - - + + - - + + Characterizes the explicitness of an OrdinaryDifferentialEquationSystem, which can be given in implicit_formulation or explicit_formulation. - + - - - + + + An OrdinaryDifferentialAlgebraicSystem is a DifferentialAlgebraicSystem system which comprises ordinary differential equations as well as algebraic equations. - + - - + + - - + + - - + + - - + + - - + + - + 1 - + 1 - + An OrdinaryDifferentialEquationSystem (ODE system) is a DifferentialEquationSystem which solely consists of ordinary differential equations. - + - - + + A PartialDifferentialAlgebraicSystem comprises both partial differential equations and algebraic equations. - + - - + + A PartialDifferentialEquationSystem (PDE system) is a DifferentialEquationSystem which consists of partial differential equations. - + - + - - - + + + - + A VariablesType indicates whether the ModelVariables of a MathematicalModel are all continuous, all discrete, or partly continuous and partly discrete: - A continuous_model denotes a MathematicalModel in which all the ModelVariables are continuous. - A discrete_model denotes a MathematicalModel in which all the ModelVariables are discrete. An example of a mixed_model is an integer model. @@ -528,42 +528,42 @@ The following classes and relations from other ontology modules are used within - + - + - - + + - - + + - - + + - - + + - + 1 - + 1 @@ -571,9 +571,9 @@ The following classes and relations from other ontology modules are used within - + - + @@ -588,118 +588,118 @@ The following classes and relations from other ontology modules are used within - + - - - + + + A closed-form model includes an underlying numerical algorithm that solves the model equations. The algorithm accepts only a fixed set of input variables, and consequently returns only a fixed set of output variables. - + - - - - + + + + A continuous_model denotes a MathematicalModel in which all the ModelVariables are continuous. - + - - - + + + A discrete_model denotes a MathematicalModel in which all the ModelVariables are discrete. An example of a discrete_model is an integer model. - + - - - + + + In an explicit_formulation, the OrdinaryDifferentialAlgebraicSystem is explicitly solved for the highest-order derivative y^(n), i.e., F(x, y, y', y'', ... y^(n-1) ) = y^(n) - + - - - + + + A DifferentialAlgebraicEquationSystem is fully_implicit if it has the form F(x, x', u, t) = 0 - + - - + + In an implicit_formulation, the ordinary differential algebraic system is not solved for the highest-order derivative, i.e., F(x, y, y', y'', y''' ...) = 0 - + - - - + + + Characterizes a linear equation system - + - - + + A mixed_model denotes a MathematicalModel in which some of the ModelVariables are discrete while the others are continuous. An example of a mixed_model is a mixed integer model. - + - - + + Characterizes a nonlinear equation system - + - - - + + + Characterizes a nonstiff differential equation. - + - - + + An open-form model is solved by an external algorithm. One can freely choose the inputs and outputs of the open-form model. - + - - + + A DifferentialAlgebraicEquationSystem is semi-explict if it has the form f(x, u, t) = x' g(x, u, t) = 0 @@ -707,10 +707,10 @@ The following classes and relations from other ontology modules are used within - + - - + + Characterizes a stiff differential equation. diff --git a/OntoCAPE/model/laws.owl b/OntoCAPE/model/laws.owl index d8f7d6c..9ba41be 100644 --- a/OntoCAPE/model/laws.owl +++ b/OntoCAPE/model/laws.owl @@ -1,22 +1,22 @@ - - - + xmlns:behavior="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:process_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/process_model.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -24,37 +24,37 @@ The ontolog module 'laws' provides a collection of laws that are frequently used in process modeling. The following classes, relations, and individuals from other ontology modules are used within 'laws': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#Accumulation"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/process_model.owl#Law"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#MolecularTransportPhenomenon"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#ParticlePhenomenon"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#PhysicalEquilibriumPhenomenon"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/process_model.owl#isAssociatedWith"/> - -<behavior:Accumulation rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#energy_accumulation"/> -<behavior:Accumulation rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#mass_accumulation"/> -<behavior:Accumulation rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#momentum_accumulation"/> -<behavior:AdsorptionPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#equilibrium_adsorption"/> -<behavior:AdsorptionPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#non-equilibrium_adsorption"/> -<behavior:ChemicalReactionPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#chemical_reaction_equilibrium"/> -<behavior:InterfaceMolecularTransportPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#interface_heat_conduction"/> -<behavior:InterfaceMolecularTransportPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#interface_mass_diffusion"/> -<behavior:InterfaceMolecularTransportPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#phase_interface_viscous_momentum_transport"/> -<behavior:MaterialAmountConnectionPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#convective_material_flow"/> -<behavior:MaterialAmountConnectionPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#heat_radiation"/> -<behavior:MolecularTransportPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#heat_conduction"/> -<behavior:MolecularTransportPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#mass_diffusion"/> -<behavior:MolecularTransportPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#viscous_momentum_transport"/> -<behavior:ParticlePhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#agglomeration"/> -<behavior:ParticlePhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#breakage"/> -<behavior:ParticlePhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#growth"/> -<behavior:ParticlePhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#nucleation"/> -<behavior:ParticlePhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#particle_population_accumulation"/> -<behavior:PhysicalEquilibriumPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#mechanical_equilibrium"/> -<behavior:PhysicalEquilibriumPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#phase_equilibrium"/> -<behavior:PhysicalEquilibriumPhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#thermal_equilibrium"/> -<behavior:SurfacePhenomenon rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#surface_mass_diffusion"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#Accumulation"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/process_model.owl#Law"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#MolecularTransportPhenomenon"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#ParticlePhenomenon"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#PhysicalEquilibriumPhenomenon"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/process_model.owl#isAssociatedWith"/> + +<behavior:Accumulation rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#energy_accumulation"/> +<behavior:Accumulation rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#mass_accumulation"/> +<behavior:Accumulation rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#momentum_accumulation"/> +<behavior:AdsorptionPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#equilibrium_adsorption"/> +<behavior:AdsorptionPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#non-equilibrium_adsorption"/> +<behavior:ChemicalReactionPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#chemical_reaction_equilibrium"/> +<behavior:InterfaceMolecularTransportPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#interface_heat_conduction"/> +<behavior:InterfaceMolecularTransportPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#interface_mass_diffusion"/> +<behavior:InterfaceMolecularTransportPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#phase_interface_viscous_momentum_transport"/> +<behavior:MaterialAmountConnectionPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#convective_material_flow"/> +<behavior:MaterialAmountConnectionPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#heat_radiation"/> +<behavior:MolecularTransportPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#heat_conduction"/> +<behavior:MolecularTransportPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#mass_diffusion"/> +<behavior:MolecularTransportPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#viscous_momentum_transport"/> +<behavior:ParticlePhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#agglomeration"/> +<behavior:ParticlePhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#breakage"/> +<behavior:ParticlePhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#growth"/> +<behavior:ParticlePhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#nucleation"/> +<behavior:ParticlePhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#particle_population_accumulation"/> +<behavior:PhysicalEquilibriumPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#mechanical_equilibrium"/> +<behavior:PhysicalEquilibriumPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#phase_equilibrium"/> +<behavior:PhysicalEquilibriumPhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#thermal_equilibrium"/> +<behavior:SurfacePhenomenon rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#surface_mass_diffusion"/> 2.0 @@ -88,9 +88,9 @@ The following classes, relations, and individuals from other ontology modules ar - + - + @@ -105,381 +105,381 @@ The following classes, relations, and individuals from other ontology modules ar - + - + - + - + A law that is associated with a phenomenon of inter- or intra-phase transport. - + - + - + - + - + - - + + - + - - + + - - + + - - - - + + + + A Law that is associated with the phenomenon of equilibrium_adsorption. - + - - + + - - + + - + A Law that is associated with the phenomenon of non-equilibrium_adsorption. - + - - + + - - + + - - - + + + A Law that is associated with the phenomenon of agglomeration (of particles). - + - - + + - - + + - - + + - - + + A Law that is associated with an Accumulation phenomenon. - + - - + + - - + + - - + + A Law that is associated with the phenomenon of breakage (of particles). - + - - - - + + + + A Law that is associated with some kinetic phenomenon, such as non-equilibrium reaction or adsorption. - + - - + + - - + + - - - + + + A Law that is associated with the phenomenon of chemical_reaction_equilibrium. - + - - - + + + A Law that is associated with some non-equilibrium phenomenon. - + - - + + - + - - + + - - + + - - - - - + + + + + A Law that is associated with the phenomenon of convective_material_flow. - + - - + + - - + + - - - + + + A Law that is associated with the phenomenon of energy_accumulation. - + - - + + - - + + - - + + - + - - + + - + - - + + - + - - + + - - + + - + A Law that is associated with the phenomenon of growth (of particles). - + - - + + - - + + - - - - + + + + A Law that is associated with the phenomenon of heat_radiation. - + - - + + - - + + - - - + + + A Law that is associated with the phenomenon of interface_heat_conduction. - + - - + + - - + + - - + + A Law that is associated with the phenomenon of interface_mass_diffusion. - + - - + + - - + + - + A Law that is associated with the phenomenon of interface_.viscous_momentum_transport. - + - - + + - - + + - - + + A Law that is associated with the phenomenon of heat_conduction. - + - - + + - - + + - + A Law that is associated with the phenomenon of mass_diffusion. - + - - + + - - + + A Law that is associated with the phenomenon of viscous_momentum_transport. @@ -487,64 +487,64 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + - - + + - - + + A Law that is associated with the phenomenon of mass_accumulation. - + - - + + - - + + - - + + A law that is associated with the phenomenon of mechanical_equilibrium. - + - - + + - - + + - + A Law that is associated with the phenomenon of momentum_accumulation. - + - - + + - - + + A law that is associated with the phenomenon of nucelation (of particles). @@ -552,60 +552,60 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + - - + + - - + + - + A Law that is associated with a ParticlePhenomenon. - + - - + + - - + + - + A law that is associated with the phenomenon of phase_equilibrium. - + - - + + - + - - + + - - + + A Law that is associated with the phenomenon of particle_population_accumulation. @@ -613,20 +613,20 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + - - + + - - + + @@ -636,22 +636,22 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + - + - - + + - - + + A Law that is associated with the phenomenon of surface_mass_diffusion. @@ -659,14 +659,14 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + - - + + A law that is associated with the phenomenon of thermal_equilibrium. @@ -674,25 +674,25 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + - + - - + + - + - + diff --git a/OntoCAPE/model/mathematical_model.owl b/OntoCAPE/model/mathematical_model.owl index daf98c4..57f06a0 100644 --- a/OntoCAPE/model/mathematical_model.owl +++ b/OntoCAPE/model/mathematical_model.owl @@ -1,22 +1,22 @@ - - - + xmlns:array1="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/array.owl#" + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:mathematical_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -25,31 +25,31 @@ The ontology module 'mathematical_model' provides concepts for a specification of mathematical models. The following classes and relations from other ontology modules are used within 'mathematical_model': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#Model"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#PhysicalQuantity"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#PropertySet"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#UnitOfMeasure"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#comprisesDirectly"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasProperty"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasUnitOfMeasure"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasValue"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isModeledBy"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isPropertyOf"/> -<owl:DatatypeProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#numericalValue"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#Model"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#PhysicalQuantity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#PropertySet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#UnitOfMeasure"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#comprisesDirectly"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasProperty"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasUnitOfMeasure"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasValue"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isModeledBy"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isPropertyOf"/> +<owl:DatatypeProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#numericalValue"/> The following classes and relations from the Meta Model are refined within 'mathematical_model': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/data_structures/array.owl#Index"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/array.owl#Index"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/data_structures/array.owl#determinesPositionOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/data_structures/array.owl#isIndexOfArray"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/data_structures/array.owl#isOrderedBy"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> -<owl:DatatypeProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/data_structures/array.owl#index"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/array.owl#determinesPositionOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/array.owl#isIndexOfArray"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/array.owl#isOrderedBy"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> +<owl:DatatypeProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/array.owl#index"/> 2.0 @@ -67,19 +67,19 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - + - + - - + + @@ -89,68 +89,68 @@ The following classes and relations from the Meta Model are refined within &apos - + - - - - + + + + The one-to-one relation between a PortIndex and the corresponding ModelVariable. - + - - - - + + + + The relation indicates a Coupling between two Submodels of a MathematicalModel. - + - - - - + + + + The relation identifies the ModelPort of a MathematicalModel. - + - - - - + + + + The relation indicates the ModelVariables of a MathematicalModel. - + - - - - - + + + + + The relation isIndexOf points form a PortIndex to the associated ModelPort. - + - - - - + + + + The relation isOrderedBy points from an ModelPort to its sorting PortIndex. @@ -167,32 +167,32 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + The attribute indexValue indicates the numerical value of an PortIndex. - + - - - + + + The attribute lowerLimit defines a lower bound for the numericalValue of a ModelVariableSpecification. - + - - - + + + The attribute upperLimit defines an upper bound for the numericalValue of a ModelVariableSpecification. @@ -210,19 +210,19 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - + - + - + 1 @@ -232,71 +232,71 @@ The following classes and relations from the Meta Model are refined within &apos - + 1 - - + + A Constant is a specified ModelVariable (i.e., an input variable), the ModelVariableSpecification of which has a constant numericalValue in all simulation runs. - + - - + + - - + + - - + + - + 2 - + A Coupling connects two ModelPorts of different Submodels, thereby defining equality equations between the ModelVariables comprised in the two ModelPorts. - + - - + + - - + + - - + + - - + + - - + + A MathematicalModel is a Model that uses mathematical language to describe the modeled System. @@ -304,26 +304,26 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - - + + - - + + - - + + A ModelPort is a collection of ModelVariables that can participate in a connection with another MathematicalModel. Thus, a model port has the function to identify and to bundle the 'public' variables of a MathematicalModel. Optionally, a ModelPort can be ordered by a PortIndex. @@ -331,29 +331,29 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - - - + + + - + - - + + - - + + A ModelVariable represents a PhysicalQuantity involved in a MathematicalModel, the Value of which can be either supplied or solved by an evaluation of the MathematicalModel. @@ -361,27 +361,27 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - + 1 - + 1 - + 1 @@ -389,13 +389,13 @@ The following classes and relations from the Meta Model are refined within &apos - - + + - + 1 @@ -404,16 +404,16 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - + - - + + @@ -423,19 +423,19 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - + - + - + 1 @@ -443,49 +443,49 @@ The following classes and relations from the Meta Model are refined within &apos - + A Parameter is a specified ModelVariable (i.e., an input variable), the ModelVariableSpecification of which has may take different numericalValue in different simulation runs. - + - - + + - - + + - - + + - - + + - - + + - + 1 - + 1 @@ -494,23 +494,23 @@ The following classes and relations from the Meta Model are refined within &apos - + - - + + - + - + - + 1 - + 1 @@ -523,24 +523,24 @@ The following classes and relations from the Meta Model are refined within &apos - + - + - + - - + + - - + + A MathematicalModel can be decomposed into Submodels. diff --git a/OntoCAPE/model/numerical_solution_strategy.owl b/OntoCAPE/model/numerical_solution_strategy.owl index cb6840b..d1c139e 100644 --- a/OntoCAPE/model/numerical_solution_strategy.owl +++ b/OntoCAPE/model/numerical_solution_strategy.owl @@ -1,22 +1,22 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:equation_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/equation_system.owl#" + xmlns:mathematical_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:numerical_solution_strategy="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/numerical_solution_strategy.owl"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -25,22 +25,22 @@ The ontology module 'numerical_solution_strategy' gives a classification of numerical solution strategies and specifies the ability of those strategy to solve a particular type of mathematical model. The follwoing classes and relations from other ontology modules are used within 'numerical_solution_strategy': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/equation_system.owl#AlgebraicEquationSystem"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/equation_system.owl#DifferentialAlgebraicEquationSystem"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/equation_system.owl#LinearAlgebraicSystem"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/equation_system.owl#NonlinearAlgebraicSystem"/>mathematical_model;#MathematicalModel"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/equation_system.owl#OrdinaryDifferentialEquationSystem"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/equation_system.owl#PartialDifferentialAlgebraicSystem"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#FixedValueSet"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/equation_system.owl#hasODE_explicitness"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#containsDirectly"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isRelatedTo"/> - -<equation_system:ODE_Explicitness rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/equation_system.owl#explicit_formulation"/> -<equation_system:ODE_Explicitness rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/equation_system.owl#implicit_formulation"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/equation_system.owl#AlgebraicEquationSystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/equation_system.owl#DifferentialAlgebraicEquationSystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/equation_system.owl#LinearAlgebraicSystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/equation_system.owl#NonlinearAlgebraicSystem"/>mathematical_model;#MathematicalModel"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/equation_system.owl#OrdinaryDifferentialEquationSystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/equation_system.owl#PartialDifferentialAlgebraicSystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#FixedValueSet"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/equation_system.owl#hasODE_explicitness"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#containsDirectly"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isRelatedTo"/> + +<equation_system:ODE_Explicitness rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/equation_system.owl#explicit_formulation"/> +<equation_system:ODE_Explicitness rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/equation_system.owl#implicit_formulation"/> 2.0 @@ -58,35 +58,35 @@ The follwoing classes and relations from other ontology modules are used within - + - - - - + + + + A ModelSolutionStrategy may apply some other, specialized ModelSolutionStrategy (e.g., for initialization, solving corrector equation, solution of a subproblem, etc.). - + - - + + - - + + Indicates the TypeOfInvolvedSteps of an ODE_SolutionStrategy. - + - - - - + + + + The relation indicates the type of MathematicalModel, for the solution of which a particular ModelSolutionStrategy is designated @@ -103,10 +103,10 @@ The follwoing classes and relations from other ontology modules are used within - + - - + + A DAE_SolutionStrategy can only solve DifferentialAlgebraicEquationSystems up to a certain differentialIndex. This restriction is specified through the attribute handlesDifferentialIndexUpTo. @@ -124,48 +124,48 @@ The follwoing classes and relations from other ontology modules are used within - + - - + + - - + + - - - + + + An AlgebraicModelSolutionStrategy is a ModelSolutionStrategy for solving AlgebraicEquationSystems. - + - - + + - - + + - - + + - + - - + + @@ -173,65 +173,65 @@ The follwoing classes and relations from other ontology modules are used within - - + + - + 2 - + 1 - - + + A DAE_SolutionStrategy is a ModelSolutionStrategy for solving DifferentialAlgebraicEquationSystems. Examples are implicit Runge-Kutta, BDF, etc. - + - - + + - - + + - + A LinearAlgebraicModelSolutionStrategy is ModelSolutionStrategy for solving LinearAlgebraicSystems. An example is Gauss-elimination. - + - - + + - - + + - - + + - - + + A ModelSolutionStrategy is a (typcially numerical) algorithm that can be used to solve mathematical models. @@ -239,14 +239,14 @@ The follwoing classes and relations from other ontology modules are used within - + - - + + - - + + A NonlinearAlgebraicModelSolutionStrategy is a ModelSolutionStrategy for solving NonlinearAlgebraicSystem. An example is the Newton's method. @@ -254,48 +254,48 @@ The follwoing classes and relations from other ontology modules are used within - + - - + + - - + + - - + + - - + + - + 1 - + An ODE_SolutionStrategy is a ModelSolutionStrategy for solving OrdinaryDifferentialEquationSystems. - + - - + + - - + + A PartialDifferentialAlgebraicModelSolutionStrategy is a ModelSolutionStrategy for solving PartialDifferentialAlgebraicSystems. @@ -303,46 +303,46 @@ The follwoing classes and relations from other ontology modules are used within - + - - + + - + - + - - + + - + A SolutionStrategyForExplixcitODEs is used to solve ordinary differential equation systems that are given in an explicit_formulation. Examples are explicit Euler, explicit Runge-Kutta, etc. - + - - + + - + - + - - + + @@ -354,18 +354,18 @@ The follwoing classes and relations from other ontology modules are used within - + - + - - + + - + A type of involved step denotes whether an ordinary differential equation solution strategy is of one-step nature or multi-step nature. - A one-step_method characterizes an ODESolutionStrategy that uses information of one integration step. Examples are various Runge-Kutta methods. - A multi-step_method characterizes an ODESolutionStrategy that uses information of multiple integration steps. Examples are Adams, BDF, etc. @@ -384,20 +384,20 @@ The follwoing classes and relations from other ontology modules are used within - + - - - + + + A multi-step_method characterizes an ODE_SolutionStrategy that uses information of multiple integration steps. Examples are Adams, BDF, etc. - + - - + + A one-step_method characterizes an ODE_SolutionStrategy that uses information of one integration step. Examples are various Runge-Kutta methods. diff --git a/OntoCAPE/model/process_model.owl b/OntoCAPE/model/process_model.owl index a1fcaf2..e9d7d76 100644 --- a/OntoCAPE/model/process_model.owl +++ b/OntoCAPE/model/process_model.owl @@ -1,28 +1,28 @@ - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl" + xmlns:behavior="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#" + xmlns:material="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/material.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:phase_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl" + xmlns:process_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/process_model.owl" + xmlns:mathematical_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#" + xmlns:chemical_process_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/chemical_process_system.owl#"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -31,24 +31,24 @@ The ontolog module 'process_model' supports the definition of specialized mathematical models for the domain of chemical engineering. The following classes and relations from other ontology modules are used within 'process_model': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#PhysicochemicalPhenomenon"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/chemical_process_system.owl#ProcessUnit"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/material.owl#Material"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/mathematical_model.owl#MathematicalModel"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/mathematical_model.owl#ModelVariable"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#FixedValueSet"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#PhysicalQuantity"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/mathematical_model.owl#correspondsToQuantity"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/mathematical_model.owl#hasModelVariable"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#models"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isPropertyOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isSubsystemOf"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#PhysicochemicalPhenomenon"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/chemical_process_system.owl#ProcessUnit"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/material.owl#Material"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#MathematicalModel"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#ModelVariable"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#FixedValueSet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#PhysicalQuantity"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#correspondsToQuantity"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#hasModelVariable"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasCharacteristic"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#models"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isPropertyOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isSubsystemOf"/> The following relation from the Meta Model is refined within 'process_model': -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#object-featureRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#object-featureRelation"/> 2.0 @@ -66,24 +66,24 @@ The following relation from the Meta Model is refined within 'process_model - + - - + + - - + + Indicates the ModelingPrinciple on which a ProcessModel is based. - + - - - - + + + + The relation denotes a correspondence between a law and a PhysicochemicalPhenomenon. The former gives a quantitative, the latter a qualitative description of a certain physical behavior. @@ -100,79 +100,79 @@ The following relation from the Meta Model is refined within 'process_model - + - - + + - - + + - - + + - - + + - + 1 - + A Law constitutes the mathematical representation of a scientific law. It usually forms part of an overall ProcessModel. - + - + - - - + + + - + A ModelingPrinciple represents the principle following which the ProcessModel is developed. - + - + - + - + - - + + - - + + - - + + @@ -183,31 +183,31 @@ The following relation from the Meta Model is refined within 'process_model - + - + - + - + - + - - + + - - + + - - + + @@ -224,31 +224,31 @@ The following relation from the Meta Model is refined within 'process_model - - + + - - + + - + - - + + - - + + - - + + @@ -257,7 +257,7 @@ The following relation from the Meta Model is refined within 'process_model - + 1 @@ -266,20 +266,20 @@ The following relation from the Meta Model is refined within 'process_model - + - - + + - - + + - - + + A PropertyModel forms part of an overall ProcessModel. It represents a mathematical correlation for the computation of one designated ModelVariable, which corresponds to one specific PhysicalQuantity. Examples are vapor pressure correlations or activity coefficient models. @@ -298,29 +298,29 @@ The following relation from the Meta Model is refined within 'process_model - + - - - + + + Following the data_driven ModelingPrinciple, a ProcessModel is derived from the Values of the Properties of a ModeledObject. Examples of this type of models are neural network models. - + - - + + Following the first-principles ModelingPrinciple, the ProcessModel is based on established physical laws and mechanisms.. - + - - + + A hybrid ModelingPrinciple applies both the first-principles and the data_driven approach diff --git a/OntoCAPE/model/process_unit_model.owl b/OntoCAPE/model/process_unit_model.owl index e535b2d..13dbacf 100644 --- a/OntoCAPE/model/process_unit_model.owl +++ b/OntoCAPE/model/process_unit_model.owl @@ -1,38 +1,38 @@ - - - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:process="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_function/process.owl#" + xmlns:behavior="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:flash_unit="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/process_units/flash_unit.owl#" + xmlns:phase_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#" + xmlns:process_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/process_model.owl#" + xmlns:splitting_unit="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/process_units/splitting_unit.owl#" + xmlns:chemical_reactor="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/process_units/chemical_reactor.owl#" + xmlns:technical_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl#" + xmlns:heat_transfer_unit="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/process_units/heat_transfer_unit.owl#" + xmlns:mathematical_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#" + xmlns:process_unit_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/process_unit_model.owl" + xmlns:distillation_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/process_units/distillation_system.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#" + xmlns:chemical_process_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/chemical_process_system.owl#"> + + + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -41,30 +41,30 @@ The ontology module 'process_unit_models' provides a collection of mathematical models that model the behavioral aspect of ProcessUnits. The following classes, relations, and individuals from other ontology modules are used within 'process_unit_model': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/mathematical_model.owl#Submodel"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/process_units/distillation_system.owl#DistillationSystemBehavior"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/process_model.owl#ProcessModel"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#Submodel"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/process_units/distillation_system.owl#DistillationSystemBehavior"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/process_model.owl#ProcessModel"/> process_model;#hasModelingPrinciple"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#MaterialAmount"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/process_units/chemical_reactor.owl#ChemicalReactorBehavior"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/process_units/flash_unit.owl#FlashUnitBehavior"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/process_units/heat_transfer_unit.owl#HeatTransferUnitBehavior"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/laws.owl#EnergyConservationLaw"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/laws.owl#NonEquilibriumLaw"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/laws.owl#MassConservationLaw"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/laws.owl#ReactionKineticsLaw"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/laws.owl#PhaseEquilibriumLaw"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/process_model.owl#hasModelingPrinciple"> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#models"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/technical_system.owl#hasPhenomenon"/> - -<behavior:FlowPattern rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#ideal_mixing"/> -<behavior:FlowPattern rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#turbulent_flow"/> -<process_model:ModelingPrinciple rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/process_model.owl#first-principles"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#MaterialAmount"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/process_units/chemical_reactor.owl#ChemicalReactorBehavior"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/process_units/flash_unit.owl#FlashUnitBehavior"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/process_units/heat_transfer_unit.owl#HeatTransferUnitBehavior"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/laws.owl#EnergyConservationLaw"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/laws.owl#NonEquilibriumLaw"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/laws.owl#MassConservationLaw"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/laws.owl#ReactionKineticsLaw"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/laws.owl#PhaseEquilibriumLaw"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/process_model.owl#hasModelingPrinciple"> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#models"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl#hasPhenomenon"/> + +<behavior:FlowPattern rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#ideal_mixing"/> +<behavior:FlowPattern rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/chemical_process_system/CPS_behavior/behavior.owl#turbulent_flow"/> +<process_model:ModelingPrinciple rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/process_model.owl#first-principles"/> 2.0 @@ -82,17 +82,17 @@ process_model;#hasModelingPrinciple"/> - + - + - + - + @@ -107,70 +107,70 @@ process_model;#hasModelingPrinciple"/> - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - - + + @@ -181,124 +181,124 @@ process_model;#hasModelingPrinciple"/> - - + + - - + + - - + + - - + + - + - + - - + + - + - + - + - + - - + + - - + + - - + + - - + + - - + + - - + + - + - + - - + + - + - + - + - + - + - + - - + + @@ -309,26 +309,26 @@ process_model;#hasModelingPrinciple"/> - - + + - - + + - - + + - - + + Model of an ideal Plug Flow Reactor @@ -336,20 +336,20 @@ process_model;#hasModelingPrinciple"/> - + - + - + - - + + - - + + @@ -358,47 +358,47 @@ process_model;#hasModelingPrinciple"/> - + - + - + - - + + - - + + - - + + - - + + - + - - - + + + diff --git a/OntoCAPE/model/property_models.owl b/OntoCAPE/model/property_models.owl index 1cf4b70..b5a055e 100644 --- a/OntoCAPE/model/property_models.owl +++ b/OntoCAPE/model/property_models.owl @@ -1,23 +1,23 @@ - - - + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:phase_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl" + xmlns:process_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/process_model.owl#" + xmlns:property_models="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/property_models.owl" + xmlns:mathematical_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -26,25 +26,25 @@ The ontolog module 'property_models' represents mathematical correlations for the compuation of certain PhysicalQuantities, such as vapor pressure correlations or activity coefficient models. The following classes and relations from other ontology modules are used within 'property_models': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/mathematical_model.owl#ModelVariable"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#ActivityCoefficient"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#Density"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#DiffusionCoefficient"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#DynamicViscosity"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#FugacityCoefficient"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#PartialMolarEnthalpy"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#PartialMolarVolume"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#PhaseEquilibriumRatio"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#PhaseSystemProperty"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#SpecificEnthalpy"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#ThermalConductivity"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#TransportPhenomenaProperty"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#IntensiveThermodynamicStateVariable"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/material/phase_system/phase_system.owl#SurfaceTension"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/process_model.owl#PropertyModel"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/mathematical_model.owl#correspondsToQuantity"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/model/mathematical_model.owl#hasModelVariable"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#ModelVariable"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#ActivityCoefficient"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#Density"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#DiffusionCoefficient"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#DynamicViscosity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#FugacityCoefficient"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#PartialMolarEnthalpy"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#PartialMolarVolume"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#PhaseEquilibriumRatio"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#PhaseSystemProperty"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#SpecificEnthalpy"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#ThermalConductivity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#TransportPhenomenaProperty"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#IntensiveThermodynamicStateVariable"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/phase_system/phase_system.owl#SurfaceTension"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/process_model.owl#PropertyModel"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#correspondsToQuantity"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#hasModelVariable"/> 2.0 @@ -62,436 +62,436 @@ The following classes and relations from other ontology modules are used within - + - - + + - + - + - - + + - - - - - - - - - - + + + + + + + + + + A PropertyModel that provides a correlation for an ActivityCoefficient. - + - - - - - - - - - - - + + + + + + + + + + + A PropertyModel that provides a correlation for an adsorption equilibrium constant. - + - - - - + + + + A PropertyModel that provides a correlation for a surface reaction rate coefficient. - + - - - - + + + + A PropertyModel that provides a correlation for a chemical kinetics coefficient. - + - - + + - + - + - - + + - - - - - - - - + + + + + + + + A PropertyModel that provides a correlation for the computation of Density. - + - - + + - + - + - - + + - - - - - - - + + + + + + + A PropertyModel that provides a correlation for the computation of FugacityCoefficient. - + - - - - - - - - + + + + + + + + A PropertyModel that provides a correlation for the computation of the heat capacity. - + - - - + + + A PropertyModel that provides a correlation for a heat transfer coefficient. - + - - - + + + A PropertyModel that provides a correlation for an adsorption equilibrium constant. - + - - + + A PropertyModel that provides a correlation for a chemical reaction rate coefficient - + - - + + - + - + - - + + - - + + A PropertyModel that provides a correlation for an IntensiveThermodynamicStateVariable. - + - - + + - + - + - - + + - + A PropertyModel that provides a correlation for a TransportPhenomenaProperty - + - - + + - + - + - - + + - - + + A PropertyModel that provides a correlation for an intra-phase mass DiffusionCoefficient. - + - - + + A PropertyModel that provides a correlation for a phase interface mass transfer coefficient. - + - - + + - + - + - - + + - - - - - + + + + + A PropertyModel that provides a correlation for the computation of the PartialMolarEnthalpy. - + - - + + - + - + - - + + - - - - + + + + A PropertyModel that provides a correlation for the computation of the PartialMolarVolume. - + - - + + - + - + - - + + - - - + + + A PropertyModel that provides a correlation for the computation of a PhaseEquilibriumRatio. - + - - - + + + A PropertyModel that provides a correlation for a phase interface transport coefficient. - + - - - - + + + + A PropertyModel that provides a correlation for a reaction equilibrium constant. - + - - + + - + - + - - + + - + A PropertyModel that provides a correlation for the computation of the SpecificEnthalpy. - + - - + + A PropertyModel that provides a correlation for the computation of the SpecificGibbsFreeEnergy. - + - - + + - + - + - - + + @@ -503,46 +503,46 @@ The following classes and relations from other ontology modules are used within - + - - + + - + - + - - + + - + A PropertyModel that provides a correlation for the ThermalConductivity. - + - - + + - + - + - - + + @@ -554,29 +554,29 @@ The following classes and relations from other ontology modules are used within - + - - + + A PropertyModel that provides a correlation for the computation of the vapor pressure. - + - - + + - + - + - - + + @@ -599,34 +599,34 @@ The following classes and relations from other ontology modules are used within - + - - + + - + - - + + - + - - + + - + - - + + diff --git a/OntoCAPE/software_system/process_modeling_software.owl b/OntoCAPE/software_system/process_modeling_software.owl index 24eaa71..6e5a50f 100644 --- a/OntoCAPE/software_system/process_modeling_software.owl +++ b/OntoCAPE/software_system/process_modeling_software.owl @@ -1,27 +1,27 @@ - - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:material="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/material/material.owl" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:process_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/process_model.owl#" + xmlns:software_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/software_system/software_system.owl#" + xmlns:mathematical_model="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/mathematical_model.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#" + xmlns:numerical_solution_strategy="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/model/numerical_solution_strategy.owl#"> + + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -43,32 +43,32 @@ - + - - - - + + + + - + - - - - + + + + - + - - - - + + + + @@ -84,34 +84,34 @@ - + - - + + - + - - + + - + - + - + - + - - + + @@ -126,13 +126,13 @@ - + - - + + - + 1 @@ -140,43 +140,43 @@ - + - - + + - + - - + + - + - - + + - - + + - + - - + + - + 1 @@ -184,10 +184,10 @@ - + - - + + diff --git a/OntoCAPE/software_system/software_system.owl b/OntoCAPE/software_system/software_system.owl index 3a61a85..7691d8b 100644 --- a/OntoCAPE/software_system/software_system.owl +++ b/OntoCAPE/software_system/software_system.owl @@ -1,24 +1,24 @@ - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:phys_dim="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#" + xmlns:technical_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#" + xmlns:mathematical_relation="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -40,89 +40,89 @@ - + - - + + has_CPU_speed_lower_limit - + - - + + has_connection_speed_lower_limit - + - - + + has_hard_disk_capacity_lower_limit - + - - - + + + has_hardware_device - + - - - + + + has_hardware_requirements - + - + has_internet_connection - + - - + + has_memory_size_lower_limit - + - - - + + + has_middleware_platform - + - - + + - - + + @@ -131,15 +131,15 @@ - + - - + + - - + + @@ -148,120 +148,120 @@ - + - - - + + + has_price - + - - + + has_price_value - + - - - + + + has_single_computer_requirements - + - - - + + + Workaround for QCR - + - - - + + + implements_interface - + - - - + + + is_associated_to_distribution_approach - + - - - + + + is_compliant_to_standard - + - - - + + + is_defined_in_standard - + - - - + + + is_runable_on_middleware_platform - + - - - + + + is_runable_on_operating_system - + - - - + + + requires_supporting_software_system - + - - - + + + supports_interface @@ -278,77 +278,77 @@ - + - - + + the Global Unique Identifier for COM classes. - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + MODEM, LAN, etc. has_connection_means @@ -356,134 +356,134 @@ - + - - + + has_description - + - - + + has_middleware_platform_version - + - - + + has_operating_system_version - + - - + + has_platform_bits - + - - + + has_size - + - - + + has_title - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - - + + - + - + @@ -500,39 +500,39 @@ - + - - + + - + - + - + - - + + - - + + - - + + - + 1 @@ -540,13 +540,13 @@ - + - - + + - + 1 @@ -554,19 +554,19 @@ - + - + - + 1 - + 1 @@ -575,19 +575,19 @@ - + - + - + 1 - + 1 @@ -596,19 +596,19 @@ - + - - + + - + 1 - + 1 @@ -617,45 +617,45 @@ - + - - + + - - + + - + - - + + - + 1 - + 1 - + 1 - + 1 @@ -664,25 +664,25 @@ - + - - + + - - + + - + 1 - + 1 @@ -690,111 +690,111 @@ - + - - + + - + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - + 1 - + 1 - + 1 - + 1 - + 1 - + 1 - + 1 @@ -813,44 +813,44 @@ - + - - + + - + - + - + - + - + - + - + - + - + - + diff --git a/OntoCAPE/supporting_concepts/SI_unit/SI_unit.owl b/OntoCAPE/supporting_concepts/SI_unit/SI_unit.owl index 4627782..0df7b70 100644 --- a/OntoCAPE/supporting_concepts/SI_unit/SI_unit.owl +++ b/OntoCAPE/supporting_concepts/SI_unit/SI_unit.owl @@ -1,19 +1,19 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:SI_unit="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/SI_unit/SI_unit.owl" + xmlns:phys_dim="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -22,23 +22,23 @@ The ontology module 'SI_unit' intorduces the base units of the SI system and introduces a method to derive further units from these. The following classes, relations, and individuals from other ontology modules are used within 'SI_unit': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Leaf"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Node"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Operand"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#BaseDimension"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#UnitOfMeasure"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasLeftChild"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasNodeValue"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDimension"/> - -<phys_dim:BaseDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#amount_of_substance"/> -<phys_dim:BaseDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#electric_current"/> -<phys_dim:BaseDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#luminous_intensity"/> -<phys_dim:BaseDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#length"/> -<phys_dim:BaseDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#mass"/> -<phys_dim:BaseDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#thermodynamic_temperature"/> -<phys_dim:BaseDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#time"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Leaf"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Node"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Operand"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#BaseDimension"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#UnitOfMeasure"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasLeftChild"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasNodeValue"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDimension"/> + +<phys_dim:BaseDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#amount_of_substance"/> +<phys_dim:BaseDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#electric_current"/> +<phys_dim:BaseDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#luminous_intensity"/> +<phys_dim:BaseDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#length"/> +<phys_dim:BaseDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#mass"/> +<phys_dim:BaseDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#thermodynamic_temperature"/> +<phys_dim:BaseDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#time"/> 2.0 @@ -56,9 +56,9 @@ The following classes, relations, and individuals from other ontology modules ar - + - + @@ -79,19 +79,19 @@ The following classes, relations, and individuals from other ontology modules ar - + - - - + + + The relation isDefinedBy links an SI_DerivedUnit to a Node, which represents the right hand side of a definition equation for the SI_DerivedUnit. - + - + @@ -106,25 +106,25 @@ The following classes, relations, and individuals from other ontology modules ar - + - + - + - + - + - + - - + + @@ -135,49 +135,49 @@ The following classes, relations, and individuals from other ontology modules ar - + A PrefixedDerivedUnit is an SI_Unit with an SI_Prefix. Examples are kJ (kilo-joule), hPa (hecto-pascal), or mm (milli-meter). - + - + - - - - - - - + + + + + + + - - - + + + The seven base units of the SI system are: ampere, candela, kelvin, kilogram, meter, mole, and second (BIPM, 2006). - + - - + + - - + + - + 1 @@ -186,36 +186,36 @@ The following classes, relations, and individuals from other ontology modules ar - + - + - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + - + An SI prefix can be used to prefix any SI unit to produce a multiple or submultiple of the original unit (BIPM, 2006). So far (as of 2006), the following 20 prefixes have been approved by the General Conference on Weights and Measures: yotta, zetta, exa, peta, tera, giga, mega, kilo, hecto, deca, deci, centi, milli, micro, nano, pico, femto, atto, zepto, yocto. @@ -223,44 +223,44 @@ yotta, zetta, exa, peta, tera, giga, mega, kilo, hecto, deca, deci, centi, milli - + - + - - + + - + An SI_Unit is Unit that complies with the SI system of units (cf. BIPM, 2006). - + - + - + - + - + - + - + - + @@ -275,429 +275,429 @@ yotta, zetta, exa, peta, tera, giga, mega, kilo, hecto, deca, deci, centi, milli - + - - - + + + ampere The ampere is that constant current which, if maintained in two straight parallel conductors of infinite length, of negligible circular cross-section, and placed 1 meter apart in vacuum, would produce between these conductors a force equal to 2e-7 newton per meter of length (http://www.bipm.fr/en/si/si_brochure/chapter2/2-1/2-1-1/ampere.html). - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + kelvin The kelvin is the fraction 1/273.16 of the thermodynamic temperature of the triple point of water (http://www.bipm.fr/en/si/si_brochure/chapter2/2-1/2-1-1/kelvin.html). - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - - + + + - + - - + + factor: 1e–18 symbol: a - + - - - + + + candela The candela is the luminous intensity, in a given direction, of a source that emits monochromatic radiation of frequency 540e12 hertz an that has a radiant intensitiy in that direction of 1/683 watt per steradian (http://www.bipm.fr/en/si/si_brochure/chapter2/2-1/2-1-1/candela.html). - + - - + + factor: 1e–2 symbol: c - + - - + + factor: 1e1 symbol: da - + - - + + factor: 1e–1 symbol: d - + - - + + factor: 1e18 symbol: E - + - - + + factor: 1e–15 symbol: f - + - - + + factor: 1e9 symbol: G - + - - + + factor: 1e2 symbol: h - + - - - + + + kilogram The kilogram is the unit of mass; it is equal to the mass of the international prototype of the kilogram (http://www.bipm.fr/en/si/si_brochure/chapter2/2-1/2-1-1/kilogram.html). - + - - + + factor: 1e3 symbol: k - + - - - + + + meter The meter is the length of the path travelled by light in a vacuum during a time interval of 1/299,792,458 of a second (http://www.bipm.fr/en/si/si_brochure/chapter2/2-1/2-1-1/metre.html). - + - - + + factor: 1e6 symbol: M - + - - + + factor: 1e–6 symbol: µ - + - - + + factor: 1e–3 symbol: m - + - - - + + + mole The mole is the amount of substance of a system which contains as many elementary entities as there are atoms in 0.012 kilogram of carbon 12. When the mole is used, the elementary entities must be specified and may be atoms, molecules, ions, electrons, other particles, or specified groups of such particles. @@ -706,91 +706,91 @@ When the mole is used, the elementary entities must be specified and may be atom - + - - + + factor: 1e–9 symbol: n - + - - + + factor: 1e15 symbol: P - + - - + + factor: 1e–12 symbol: p - + - - - + + + second The second is the duration of 9,192,631,770 periods of the radiation corresponing to the transition between the two hyperfine levels of the ground state of the caesium-133 atom (http://www.bipm.fr/en/si/si_brochure/chapter2/2-1/2-1-1/second.html). - + - - + + factor: 1e12 symbol: T - + - - + + factor: 1e–24 symbol: y - + - - + + factor: 1e24 symbol: Y - + - - + + factor: 1e–21 symbol: z - + - - + + factor: 1e21 symbol: Z @@ -808,70 +808,70 @@ symbol: Z - - - - - - - + + + + + + + - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + diff --git a/OntoCAPE/supporting_concepts/SI_unit/derived_SI_units.owl b/OntoCAPE/supporting_concepts/SI_unit/derived_SI_units.owl index 3aaf5c5..aa39939 100644 --- a/OntoCAPE/supporting_concepts/SI_unit/derived_SI_units.owl +++ b/OntoCAPE/supporting_concepts/SI_unit/derived_SI_units.owl @@ -1,22 +1,22 @@ - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:SI_unit="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/SI_unit/SI_unit.owl#" + xmlns:der_dim="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#" + xmlns:phys_dim="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#" + xmlns:der_SI_units="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/SI_unit/derived_SI_units.owl"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -25,64 +25,64 @@ The ontology module 'derived_SI_units' provides some common SI units. The following classes, relations, and individuals from other ontology modules are used within 'derived_SI_units': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#BinaryOperator"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Leaf"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Node"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#ElectricityAndMagnetism"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#Heat"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#Mechanics"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#PeriodicPhenomena"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#SpaceAndTime"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#BaseDimension"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#DerivedDimension"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/SI_unit/SI_unit.owl#PrefixedDerivedUnit"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/SI_unit/SI_unit.owl#SI_DerivedUnit"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasLeftChild"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasNodeValue"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasRightChild"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#leftChildNodeValue"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#rightChildNodeValue"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/SI_unit/SI_unit.owl#isDefinedBy"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDimension"/> - -<maths:BinaryOperator rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#divide"/> -<maths:BinaryOperator rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#plus"/> -<maths:BinaryOperator rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#power"/> -<maths:BinaryOperator 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+<der_dim:Mechanics rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#work"/> +<der_dim:PeriodicPhenomena rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#frequency"/> +<der_dim:PeriodicPhenomena rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#oscillation_phase"/> +<der_dim:SpaceAndTime rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#angular_acceleration"/> +<der_dim:SpaceAndTime rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#angular_velocity"/> +<der_dim:SpaceAndTime rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#area"/> +<der_dim:SpaceAndTime rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#velocity"/> +<der_dim:SpaceAndTime rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#volume"/> +<phys_dim:FundamentalDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#amount_of_money"/> +<phys_dim:BaseDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#amount_of_substance"/> +<phys_dim:BaseDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#length"/> +<phys_dim:BaseDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#thermodynamic_temperature"/> 2.0 @@ -100,21 +100,21 @@ The following classes, relations, and individuals from other ontology modules ar - + - + - + - + - + - + @@ -129,750 +129,750 @@ The following classes, relations, and individuals from other ontology modules ar - + - - - - + + + + The coulomb (symbol: C) is the SI unit of electric charge. - + - - - + + + Canadian Dollar (currency used in Canada) - + - - - - + + + + 273.15 - + - - - + + + Swiss Franc (currency used in Switzerland, Liechtenstein) - + - - - + + + Yuan Renminbi (currency used in mainland China) - + - - + + - + - - - - + + + + 3 - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - + + + + °C - + - - - + + + Euro (currency used in Austria, Belgium, Finland, France [except Pacific territories using CFP franc], Germany, Greece, Ireland, Italy, Luxembourg, Netherlands [except Aruba and the Netherlands Antilles using Aruban florin and Antillean guilder respectively], Portugal, Slovenia, Spain, as well as Monaco, San Marino, Vatican City, Andorra, Montenegro, Kosovo) - + - - - + + + Pound Sterling (currency used in the United Kingdom) - + - - - - + + + + 1.0 - + - - - - + + + + Hertz - + - - - - + + + + Joule - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - - + + + + + - + - - - + + + Japanese yen (currency used in Japan) - + - - - - + + + + Joule per Kelvin - J/K - + - - - - + + + + Joule per kilogram Kelvin - J/(kg.K) - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - + + + + Newton - + - - - - + + + + Newton meter - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - + + + + Newton per meter - N/m - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - + + + + Pascal - + - - - - + + + + Pascal second - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - - + + + + + - + - - - + + + Russian Ruble (currency used in Russia, Abkhazia, South Ossetia) - + - - - - + + + + 2 - + - - - - + + + + 2 - + - - - + + + US Dollar (currency used in American Samoa, British Indian Ocean Territory, Ecuador, El Salvador, Guam, Haiti, Marshall Islands, Micronesia, Northern Mariana Islands, Palau, Panama, Puerto Rico, East Timor, Turks and Caicos Islands, United States, Virgin Islands) - + - - - - + + + + Watt - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - - + + + + + - + - - - - + + + + Watt per meter Kelvin - W/(m.K) - + - - - - + + + + cubic meter per kilogram- (m.m.m)/kg - + - - - - + + + + kilojoule - + - - - - + + + + kilowatt - + - - - - + + + + kilogram per cubic meter - kg/(m.m.m) - + - - - - + + + + - + - - - - + + + + - + - - - - + + + + kilometer - + - - - - + + + + - + - - - - + + + + square meter - m.m - + - - - - + + + + cubic meter - m.m.m - + - - - - + + + + cubic meter per mole - + - - - - + + + + meter per second - m/s - + - - - - + + + + Radian - + - - - - + + + + radian per second - rad/s - + - - - - + + + + radian per second squared - rad/(s.s) - + - + - + - + - + - + - + - + @@ -887,47 +887,47 @@ The following classes, relations, and individuals from other ontology modules ar - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + - - - - + + + + diff --git a/OntoCAPE/supporting_concepts/geometry/geometry.owl b/OntoCAPE/supporting_concepts/geometry/geometry.owl index 7dd300f..7fed858 100644 --- a/OntoCAPE/supporting_concepts/geometry/geometry.owl +++ b/OntoCAPE/supporting_concepts/geometry/geometry.owl @@ -1,19 +1,19 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:der_dim="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#" + xmlns:geometry="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/geometry/geometry.owl" + xmlns:phys_dim="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -22,19 +22,19 @@ The ontology module 'geometry' introduces some geometric concpets for the representation of surfaces and geometric solids. The following classes, relations, and individuals from other ontology modules are used within 'geometry': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#PhysicalQuantity"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#ScalarQuantity"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#PhysicalQuantity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#ScalarQuantity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasAspectSystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDimension"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasProperty"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isPropertyOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#representsAspectOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasAspectSystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDimension"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasProperty"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isPropertyOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#representsAspectOf"/> -<der_dim:SpaceAndTime rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#area"/> -<der_dim:SpaceAndTime rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#volume"/> -<phys_dim:BaseDimension rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#length"/> +<der_dim:SpaceAndTime rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#area"/> +<der_dim:SpaceAndTime rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#volume"/> +<phys_dim:BaseDimension rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#length"/> 2.0 @@ -68,65 +68,65 @@ The following classes, relations, and individuals from other ontology modules ar - + - - - - + + + + points from a System to the Solid that represents its geometry - + - - - - + + + + points from a System to the Surface that represents its geometry - + - - + + - - + + - + workaround for QCR which is a feature of modeling currently not available from OWL. - + - - + + - - + + - - - - + + + + @@ -135,64 +135,64 @@ The following classes, relations, and individuals from other ontology modules ar - + - - - - + + + + workaround for QCR which is a feature of modeling currently not available from OWL. - + - - - + + + points from a Solid to the System whose geometry the Solid represents - + - - - + + + points from a Surface to the System whose geometry the Surface represents - + - + - + - + - + - + - + - + - + - + @@ -207,136 +207,136 @@ The following classes, relations, and individuals from other ontology modules ar - + - - - + + + The base is the bottom of a solid. If the top is parallel to the bottom (as in a trapezoid or prism), both the top and bottom are called bases. The BaseArea is the SurfaceArea of (one of) the base(s). - + - - + + - - + + - - + + - - + + - + - - + + - - - + + + A three dimensional figure with a single base tapering to an apex. The base can be any simple closed curve. [http://www.mathwords.com/c/cone.htm] - + - - + + - - + + - - + + - - + + - - + + - + 3 - + 3 - - + + A closed box composed of three pairs of rectangular faces placed opposite each other and joined at right angles to each other, also known as a rectangular parallelepiped. [Weisstein, Eric W. "Cuboid." From MathWorld--A Wolfram Web Resource. http://mathworld.wolfram.com/Cuboid.html] - + - - + + - - + + - - + + - - + + - + - - + + @@ -344,48 +344,48 @@ The following classes, relations, and individuals from other ontology modules ar - + 3 - + A Solid with parallel congruent bases. The bases can be shaped like any closed plane figure (not necessarily a circle) and must be oriented identically. [http://www.mathwords.com/c/cylinder.htm] - + - - + + - - + + - - - - - + + + + + The length of a line segment between two points on a Disk or Sphere which passes through the center of the Disk or Sphere. - + - - + + - + - - + + @@ -393,12 +393,12 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + @@ -406,101 +406,101 @@ The following classes, relations, and individuals from other ontology modules ar - + 1 - + A Disk is the union of a circle and its interior [http://www.mathwords.com/d/disk.htm]. A circle is given by the set of points in a plane that are equidistant from a given point. - + - - + + - - + + - - - - - + + + + + The length of a (straight) edge of a Surface or Solid - + - - + + - - + + - - - + + + The shortest distance between the base of a geometric figure and its top, whether that top is an opposite vertex, an apex, or another base. [http://www.mathwords.com/a/altitude.htm] - + - - + + The SurfaceArea of a single lateral surface of a solid (i.e., any SideArea that is not a BaseArea). - + - - + + - - + + - - - + + + The length of the line segment between the center and a point on a circle or Sphere. - + - - + + - - + + - - + + - + 2 @@ -509,25 +509,25 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + - - + + - + 2 - + 1 @@ -536,18 +536,18 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + - + - - + + @@ -555,13 +555,13 @@ The following classes, relations, and individuals from other ontology modules ar - + - - - + + + @@ -569,13 +569,13 @@ The following classes, relations, and individuals from other ontology modules ar - + 3 - + 2 @@ -584,72 +584,72 @@ The following classes, relations, and individuals from other ontology modules ar - + - - + + A Cone that has its apex aligned directly above the center of its base [http://www.mathwords.com/r/right_cone.htm]. - + - - + + A Cylinder which has bases aligned one directly above the other [http://www.mathwords.com/r/right_cylinder.htm] - + - - + + - - + + - + The area of one particular exterior surface of a Solid. This concept should be applied only if the Solid has several distinguishable exterior surfaces. Otherwise (e.g., for a Sphere) use TotalSufaceArea A SideArea can either be a ScalarQuantity or a VectorQuantity. In case of the latter, the vector is perpendicular to the surface (i.e., it has the same orientation as the surface normal), and its Euclidean norm equals the area of the surface. - + - - + + - - + + - - + + - - + + - - + + - + 1 @@ -658,18 +658,18 @@ A SideArea can either be a ScalarQuantity or a VectorQuantity. In case of the la - + - - + + - + - - + + @@ -677,18 +677,18 @@ A SideArea can either be a ScalarQuantity or a VectorQuantity. In case of the la - - + + - + - - + + @@ -696,13 +696,13 @@ A SideArea can either be a ScalarQuantity or a VectorQuantity. In case of the la - + 1 - + 1 @@ -711,25 +711,25 @@ A SideArea can either be a ScalarQuantity or a VectorQuantity. In case of the la - + - - + + - - + + - - + + - + 1 @@ -738,22 +738,22 @@ A SideArea can either be a ScalarQuantity or a VectorQuantity. In case of the la - + - + - - + + - + - - + + The area of a Surface or of (one of) the exterior surface(s) of a Solid. @@ -765,25 +765,25 @@ More precisely, the class alternatively denotes - + - - - - + + + + The total area of a Surface or of (all) the exterior surface(s) of a Solid. - + - - + + - - + + The total amount of space enclosed in a Solid [http://www.mathwords.com/v/volume.htm] @@ -791,21 +791,21 @@ More precisely, the class alternatively denotes - + - + - + - + - + - + @@ -820,21 +820,21 @@ More precisely, the class alternatively denotes - + - + - + - + - + - + diff --git a/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl b/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl index 62a188f..b77e663 100644 --- a/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl +++ b/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl @@ -1,18 +1,18 @@ - - - + xmlns:binary_tree="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/binary_tree.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -22,12 +22,12 @@ Mathematical relations and expressions are represented by means of binary trees. The nodes of the tree represent the operands and the operators, and the structure of the tree specifies the order of evaluation. The following classes and relations of the Meta Model are used (i.e., refined) within 'mathematical_realtion': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/data_structures/binary_tree.owl#Node"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#NonExhaustiveValueSet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/binary_tree.owl#Node"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#NonExhaustiveValueSet"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/data_structures/binary_tree.owl#hasAncestor"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/data_structures/binary_tree.owl#hasDescendent"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#object-featureRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/binary_tree.owl#hasAncestor"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/binary_tree.owl#hasDescendent"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#object-featureRelation"/> 2.0 @@ -62,126 +62,126 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - - + + + - - + + The ancestors of a Node are the Nodes that precede the current Node in the tree (i.e., the Node’s parent, grandparent, etc.). - + - - - - - + + + + + The relation hasChild points to the children of a Node; it subsumes the relations hasLeftChild and hasRightChild. - + - - + + - - + + The descendents of a Node are the Nodes that succeed the current Node in the tree (i.e., the Node’s children, grandchildren, etc.). - + - - - - - + + + + + The relation hasLeftChild links a parent Node to its left child Node. - + - - - - + + + + The relation hasNodeValue links a NodeValue to a Node. - + - - - - + + + + The relation hasParent points to the parent of a Node. - + - - - - - + + + + + The relation hasRightChild links a parent Node to its right child Node. - + - - - - + + + + The relation isLeftChildOf points from the left child Node to its parent Node. - + - - - - + + + + The relation isRightChildOf points from the right child Node to its parent Node. - + - + - + - + - + - + @@ -196,28 +196,28 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + The attribute 'leftChildNodeValue' can be used as a shorthand to substitute a left child Node, the NodeValue of which is represented through the attribute 'nodeValue'. - + - - + + The attribute nodeValue indicates an operand (usually a number) in a mathematical expression. - + - - + + The attribute 'rightChildNodeValue' can be used as a shorthand to substitute a right child Node, the NodeValue of which is represented through the attribute 'nodeValue'. @@ -234,61 +234,61 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - - + + + A BinaryOperator denotes a binary operation between two expression. Typical binary operations are addition, subtraction, multiplication, division, and exponentiation. Labels and definitions of binary operators are taken from Appendix C "Content Markup Definition" of MathML v2.0, http://www.w3.org/TR/MathML2/appendixc.html - + - + - - + + - - + + A FunctionalOperator denotes a mathematical function. - + - + - + - - + + - + 1 - + 1 - - + + @@ -303,15 +303,15 @@ Labels and definitions of binary operators are taken from Appendix C "Conte - + 1 - + 0 - + 0 @@ -319,11 +319,11 @@ Labels and definitions of binary operators are taken from Appendix C "Conte - + 0 - + 1 @@ -331,11 +331,11 @@ Labels and definitions of binary operators are taken from Appendix C "Conte - + 1 - + 0 @@ -343,8 +343,8 @@ Labels and definitions of binary operators are taken from Appendix C "Conte - - + + @@ -355,24 +355,24 @@ Labels and definitions of binary operators are taken from Appendix C "Conte - + 1 - + 1 - + 2 - - + + @@ -381,75 +381,75 @@ Labels and definitions of binary operators are taken from Appendix C "Conte - - + + - - + + A node that has a parent node as well as a child. The child may be represented either as a node or through the attribute leftChildNodeValue or rightChildNodeValue. - + - - + + - - + + - + 0 - + 0 - + 0 - + A Leaf is a Node without any children. - + - + - - - + + + - + - + 0 - + 1 @@ -457,11 +457,11 @@ Labels and definitions of binary operators are taken from Appendix C "Conte - + 1 - + 0 @@ -475,11 +475,11 @@ Labels and definitions of binary operators are taken from Appendix C "Conte - + 0 - + 1 @@ -487,11 +487,11 @@ Labels and definitions of binary operators are taken from Appendix C "Conte - + 1 - + 0 @@ -505,11 +505,11 @@ Labels and definitions of binary operators are taken from Appendix C "Conte - + 0 - + 1 @@ -517,11 +517,11 @@ Labels and definitions of binary operators are taken from Appendix C "Conte - + 1 - + 0 @@ -531,65 +531,65 @@ Labels and definitions of binary operators are taken from Appendix C "Conte - - + + - - + + - - + + - - + + - + 1 - + 1 - + 1 - + 1 - + 1 - + 1 - + Binary trees can be used to represent mathematical expressions: specifically the combinations of operators, operands, and order of evaluation. The leaves of such an expression tree are operands in the expression, and the internal nodes are the operators. For example, the relation (1+2)*3 < 4 can be represented by the following tree: @@ -604,69 +604,69 @@ combinations of operators, operands, and order of evaluation. The leaves of such - + - + - - + + - + A NodeValue represents a component part of mathematical expression. It can be either an Operator or an Operand. - + - - - + + + An Operand is one of the inputs of an Operator. - + - + - - + + - + An Operator is either a RelationalOperator or a FunctionalOperator. - + - - + + A RelationalOperator denotes a mathematical relation, such as equality or greater than, between two expressions. Labels and definitions of relational operators are taken from Appendix C "Content Markup Definition" of MathML v2.0, http://www.w3.org/TR/MathML2/appendixc.html - + - + - + - + 0 @@ -682,28 +682,28 @@ Labels and definitions of relational operators are taken from Appendix C "C - + 1 - + 1 - + 2 - + - - + + @@ -715,22 +715,22 @@ Labels and definitions of relational operators are taken from Appendix C "C - + 1 - + 1 - + 1 - - + + @@ -739,8 +739,8 @@ Labels and definitions of relational operators are taken from Appendix C "C - - + + A RootNode is the root element of a binary tree. All other Nodes are descendents of the RootNode. @@ -748,10 +748,10 @@ Labels and definitions of relational operators are taken from Appendix C "C - + - - + + A UnaryOperator denotes a mathematical operation which takes a single argument. Typical binary operations are squaring, root extraction, or factorial. Labels and definitions of unary operators are taken from Appendix C "Content Markup Definition" of MathML v2.0, http://www.w3.org/TR/MathML2/appendixc.html @@ -759,15 +759,15 @@ Labels and definitions of unary operators are taken from Appendix C "Conten - + - + - + - + @@ -782,178 +782,178 @@ Labels and definitions of unary operators are taken from Appendix C "Conten - + - - + + Unary operator that represents the cos function. - + - - - - - - - + + + + + + + Binary division operator that is used indicate the mathematical operation A "divided by" B. - + - - - - - + + + + + the relational operator "equals" - + - - + + Unary operator that represents the exponentiation function. - + - - + + Unary operator used to construct factorials. Factorials are defined by n! = n*(n-1)* ... * 1 - + - - - + + + the relational operator "greater than or equal" - + - - - - + + + + the relational operator "greater than" - + - - + + the relational operator "lesser than or equal" - + - - + + Unary operator that represents the ln function (natural logarithm) - + - - + + the relational operator "less than" - + - - - - - - + + + + + + This is the binary subtraction operator. It constructs the mathematical operation A "minus" B. - + - - + + the relational operator "equals" - + - - - - - + + + + + Binary addition operator http://www.w3.org/TR/MathML2/appendixc.html#cedef.plus - + - - - - + + + + This is the binary powering operator that is used to construct expressions such as A "to the power of" B. In particular, it is the operation for which A "to the power of" 2 is equivalent to A*A. http://www.w3.org/TR/MathML2/appendixc.html#cedef.power. - + - - - + + + This is the binary operator used to construct the nth root of an expression. The first argument "a" is the expression and the second object "n" denotes the root, as in ( a ) ^ (1/n) http://www.w3.org/TR/MathML2/appendixc.html#cedef.root - + - - + + Unary operator that represents the sin function. - + - - + + Binary multiplication operator http://www.w3.org/TR/MathML2/appendixc.html#cedef.times @@ -971,33 +971,33 @@ http://www.w3.org/TR/MathML2/appendixc.html#cedef.times - - - - - + + + + + - - - - - - + + + + + + - - - - - - + + + + + + diff --git a/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl b/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl index b76f59e..39b23b7 100644 --- a/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl +++ b/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl @@ -1,20 +1,20 @@ - - - + xmlns:phys_dim="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#" + xmlns:binary_tree="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/binary_tree.owl#" + xmlns:derived_dimensions="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/derived_dimensions.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -23,27 +23,27 @@ The ontology module 'derived_dimensions' introduces a number of physical dimensions and their mathematical definitions. The following classes, relations, and individuals from other ontology modules are used within 'derived_dimensions': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#DerivedDimension"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#BinaryOperator"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Leaf"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Node"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasLeftChild"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasNodeValue"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasRightChild"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#isLeftChildOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#isRightChildOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#rightChildNodeValue"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#isDefinedBy"/> - -<maths:BinaryOperator rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#divide"/> -<maths:BinaryOperator rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#power"/> -<maths:BinaryOperator rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#times"/> -<maths:Leaf rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#AMOUNT_OF_SUBSTANCE"/> -<maths:Leaf rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#ELECTRIC_CURRENT"> -<maths:Leaf rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#LENGTH"/> -<maths:Leaf rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#MASS"/> -<maths:Leaf rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#TIME"> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#DerivedDimension"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#BinaryOperator"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Leaf"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Node"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasLeftChild"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasNodeValue"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasRightChild"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#isLeftChildOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#isRightChildOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#rightChildNodeValue"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#isDefinedBy"/> + +<maths:BinaryOperator rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#divide"/> +<maths:BinaryOperator rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#power"/> +<maths:BinaryOperator rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#times"/> +<maths:Leaf rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#AMOUNT_OF_SUBSTANCE"/> +<maths:Leaf rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#ELECTRIC_CURRENT"> +<maths:Leaf rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#LENGTH"/> +<maths:Leaf rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#MASS"/> +<maths:Leaf rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl#TIME"> 2.0 @@ -60,39 +60,39 @@ The following classes, relations, and individuals from other ontology modules ar - + - + - + - + - + - + - + - + - + - + - + - + @@ -107,9 +107,9 @@ The following classes, relations, and individuals from other ontology modules ar - + - + @@ -124,70 +124,70 @@ The following classes, relations, and individuals from other ontology modules ar - + - + - + - - - - - - + + + + + + The class ElectricityAndMagnetism subsumes DerivedDimensions that are connected with the phenomena of electricity or magnetism. - + - - - - - + + + + + The class Mechanics subsumes DerivedDimensions that are of relevance for the field of mechanics. - + - - - - + + + + The class PeriodicPhenomena subsumes DerivedDimensions with a periodic character, such as frequency or period. - + - - - + + + The class SpaceAndTime subsumes DerivedDimensions that can be derived from the base dimensions length and time. - + - - + + The class Thermodynamics subsumes DerivedDimensions that are of relevance in the area of heat transfer and thermodynamics. - + - + @@ -202,488 +202,488 @@ The following classes, relations, and individuals from other ontology modules ar - + - + - + - + - + - + - + - - - - - + + + + + velocity/time - + - - - - + + + + 2 length^2 - + - - - - - + + + + + - + - - - - - + + + + + volume/amount_of_substance - + - - - - - + + + + + mass/amount_of_substance - + - - - - - + + + + + length/time - + - - - - - + + + + + 3 length^3 - + - - - - + + + + the first time derivative from velocity [Chertov, 1997] - + - - + + the first time derivative from the angular velocity [Chertov, 1997] - + - - + + the first time derivative from the deflection angle [Chertov, 1997] - + - - - + + + characterizes the plane and curved surfaces of a physical body [Chertov, 1997] - + - - + + the inverse to the time interval during which the amplitude decrease e times [Chertov, 1997] - + - - + + the ratio of the mass to the volume of a body´s element [Chertov, 1997] - + - - + + the coefficient of proportinality in the internal friction force formula [Chertov, 1997] - + - - - + + + The measure equal to the product of electic current into time during which the current flows [Chertov] - + - - + + the ratio of an infinitely small quantity of heat transmitted to a system to the temperature [Chertov, 1997] - + - - + + the degree of mechanical influence exerted on a body by other bodies [Chertov, 1997] - + - - + + the inverse to the period [Chertov, 1997] - + - - + + the ratio of heat required to warm a physical body to the difference in temperature [Chertov, 1997] - + - - + + the ratio of the quantity of heat which passes a surface to time [Chertov, 1997] - + - - + + the energy from the random thermal movement of all microparticles in a system [Chertov, 1997] - + - - + + the ratio of the dynamic viscosity of a medium to its density [Chertov, 1997] - + - - + + The mass of some particular substance per total mass - + - - + + The amount of some particular substance per total amount of substance - + - - - + + + the volume of one mole of material - + - - - + + + The molecular mass of a substance (less accurately called molecular weight) is the mass of one molecule of that substance, relative to the unified atomic mass unit u (equal to 1/12 the mass of one atom of carbon-12). [Wikipedia] - + - - + + in relation to a certain point, the product of the force and the arm, i.e. the distance between the direction of the force and the point [Chertov, 1997] - + - - + + the mass of a material point per square distance to the axis of rotation [Chertov, 1997] - + - - + + the mass of a physical body at its velocity [Chertov, 1997] - + - - + + independent variable of a function describing the quantity which changes according the law of harmonic vibrations [Chertov, 1997] - + - - + + the time interval during which a cycle of periodic process is completed [Chertov, 1997] - + - - + + geometric figure formed by two rays (sides of the angle) extending from one point [Chertov, 1997] - + - - + + the ratio of work to time interval during which the work is completed [Chertov, 1997] - + - - + + the ratio between the perpendicular force acting on a surface element to the area of the element [Chertov, 1997] - + - - + + the part of internal energy which is transferred spontaneously, with no external influence from more to less heated physical body [Chertov, 1997] - + - - + + the number of rotations completed in a second [Chertov, 1997] - + - - + + the part of space enclosed within one cavity of conical surface with a closed directrix [Chertov, 1997] - + - - + + the ratio of entropy to the mass of a system [Chertov, 1997] - + - - + + the ratio of the heat capacity of a uniform physical body to its mass [Chertov, 1997] - + - - + + the ratio of the volume to the mass of a body´s element [Chertov, 1997] - + - - + + the ratio of between the force, acting on a segment of the free surface contour perpendicular to the contour and tangentially to the surface, and the length of the segment [Chertov, 1997] - + - - + + the ratio of the relative change in a physical quantity to the temperature change reckoned from the initial temperature [Chertov, 1997] - + - - + + the density of heat flux produced by heat conductivity at temperature gradient [Chertov, 1997] - + - - - + + + the first time derivative from movement [Chertov, 1997] - + - - - + + + characterizes physical bodies [Chertov, 1997] - + - - + + The volume of some particular substance per total volume - + - - + + the scalar product of force into an elementary displacement [Chertov, 1997] - + - - + + - + - - + + @@ -699,76 +699,76 @@ The following classes, relations, and individuals from other ontology modules ar - - - - - - + + + + + + - - - - - - - - + + + + + + + + - - - - - + + + + + - - - - - - - - - - - - + + + + + + + + + + + + - - - - - - - - - + + + + + + + + + - - - - - + + + + + diff --git a/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl b/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl index 0ae54e8..e056d3b 100644 --- a/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl +++ b/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl @@ -1,20 +1,20 @@ - - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:phys_dim="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/physical_dimension/physical_dimension.owl" + xmlns:binary_tree="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/binary_tree.owl#"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -23,12 +23,12 @@ The ontology module 'physical_dimension' defines a set of fundamental dimensions and introduces a method to derive further physical dimensions from these base dimensions. The following classes and relations of other ontology modules are used within 'physical_dimension': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Leaf"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Node"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Operand"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#PhysicalDimension"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Leaf"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Node"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#Operand"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#PhysicalDimension"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasNodeValue"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/supporting_concepts/mathematical_relation/mathematical_relation.owl#hasNodeValue"/> 2.0 @@ -46,9 +46,9 @@ The following classes and relations of other ontology modules are used within &a - + - + @@ -69,11 +69,11 @@ The following classes and relations of other ontology modules are used within &a - + - - - + + + @@ -89,90 +89,90 @@ The following classes and relations of other ontology modules are used within &a - + - + - + - + - + - + - + - + - - - - - - - + + + + + + + - - - - + + + + Most PhysicalDimensions can be mathematically derived from a small set of dimensions that we call BaseDimensions. Such a set of base dimensions is chosen by convention. In OntoCAPE, we adopt the base dimensions of the SI system of units (BIPM, 2006), which are length, time, thermodynamic temperature, mass, amount of substance, electric current, and luminous intensity. - + - - + + - - + + - + 1 - + A DerivedDimension is a PhysicalDimension that can be defined as a product of powers of the BaseDimensions. For example, the DerivedDimension ‘velocity’ can be defined as the ratio of the BaseDimensions ‘length’ and ‘time’. - + - - - + + + This class subsumes fundamental dimensions that do not form part of the SI system of units and therefore not classified under the BaseDimension class. - + - + - - - + + + @@ -191,163 +191,163 @@ The following classes and relations of other ontology modules are used within &a - + - - - + + + Auxiliary individual for the definition of DerivedDimensions that are derivable from the FundamentalDimension of ' amount_of_money'. - + - - - + + + Auxiliary individual for the definition of DerivedDimensions that are derivable from the BaseDimension of ' amount_of_substance'. - + - - - + + + Auxiliary individual for the definition of DerivedDimensions that are derivable from the BaseDimension of ' electric_current'. - + - - - + + + Auxiliary individual for the definition of DerivedDimensions that are derivable from the BaseDimension of ' length'. - + - - - + + + Auxiliary individual for the definition of DerivedDimensions that are derivable from the BaseDimension of ' luminous_intensity'. - + - - - + + + Auxiliary individual for the definition of DerivedDimensions that are derivable from the BaseDimension of ' mass'. - + - - - + + + Auxiliary individual for the definition of DerivedDimensions that are derivable from the BaseDimension of ' thermodynamic_temperature'. - + - - - + + + Auxiliary individual for the definition of DerivedDimensions that are derivable from the BaseDimension of ' time'. - + - - - + + + An amount of money in an arbitrary currency. - + - - + + The number of elementary entities contained in a body (or a system of bodies). [Chertov, 1997] - + - - + + The time derivative from an electric charge sustained by a charge carrier through an observed surface. [Chertov, 1997] - + - - + + According to Gruber & Olsen (1994) the identity_dimension is defined as the identity element for multiplication over PhysicalDimensions. That means that the product of the identity_dimension and any other PhysicalDimension is that other PhysicalDimension. - + - - + + The physical dimension which characterizes the space and distance traveled by bodies or their parts along a given line. [Chertov, 1997] - + - - + + The radiant flux emitted by a source of radiation in a given direction inside a small solid angle in relation to this solid angle. [Chertov, 1997] - + - - + + The physical dimension which characterizes the inert and gravitational properties of material objects. [Chertov, 1997] - + - - + + The temperature calculated according to a thermodynamic temperature scale from absolute zero. [Chertov, 1997] - + - - + + The physical dimension characterizing the successive change in phenomena and the states of matter which determines the duration of phenomenal being. [Chertov, 1997] @@ -364,26 +364,26 @@ The following classes and relations of other ontology modules are used within &a - - - - - - - - + + + + + + + + - - - - - - - + + + + + + + diff --git a/OntoCAPE/supporting_concepts/space_and_time/space_and_time.owl b/OntoCAPE/supporting_concepts/space_and_time/space_and_time.owl index a6fe933..ef35db3 100644 --- a/OntoCAPE/supporting_concepts/space_and_time/space_and_time.owl +++ b/OntoCAPE/supporting_concepts/space_and_time/space_and_time.owl @@ -1,16 +1,16 @@ + - - - - - + + + + + ]> - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:coordinate_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/coordinate_system.owl" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -24,28 +24,28 @@ The ontology module 'coordinate_system' complements the 'system' module by introducing the concept of a coordinate system. A coordinate system provides a frame of reference for the observation of properties owned by other systems. The following classes and relations from the ontology module 'system' are used within 'coordinate_system': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#ExtensibleValueSet"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#PhysicalConstant"> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#PropertySet"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#ScalarQuantity"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#ScalarValue"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#Value"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#comprisesDirectly"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasProperty"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasValue"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isBackdropOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isObservedAgainstBackdrop"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isPropertyOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isValueOf"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#ExtensibleValueSet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#PhysicalConstant"> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#PropertySet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#QuantitativeValue"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#ScalarQuantity"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#ScalarValue"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#Value"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#comprisesDirectly"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasProperty"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasValue"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isBackdropOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isObservedAgainstBackdrop"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isPropertyOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isValueOf"/> The following classes and relations from the Meta Model are used (i.e., refined) within 'coordinate_system': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#NonExhaustiveValueSet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#NonExhaustiveValueSet"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#object-featureRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#object-featureRelation"/> 2.0 @@ -92,85 +92,85 @@ The following classes and relations from the Meta Model are used (i.e., refined) - + - + - + - - - - + + + + The relation hasAxis identifies the CoordinateSystemAxes that belong to a particular CoordinateSystem. - + - - - - + + + + The relation hasCoordinate indicates the Coordinates of a CoordinateSystem. - + - - + + - - + + By means of the relation refersToAxis, a Coordinate can be further specified. For example, a spatial coordinate may refer to the x-axis of a spatial coordinate system, thus clarifying its spatial orientation. - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -185,80 +185,80 @@ The following classes and relations from the Meta Model are used (i.e., refined) - + - + - + - - + + - - + + - - + + - - + + - - + + - - + + - + 1 - + A Coordinate is a property of a CoordinateSystem. The Values of a Coordinate constitute an "absolute" or "final" backdrop for the observation of some Properties. - + - + - + - - + + - - + + - - + + A CoordinateSet groups some Coordinates which logically belong together. @@ -266,36 +266,36 @@ The following classes and relations from the Meta Model are used (i.e., refined) - + - + - + - - + + - - + + - - + + - - + + A CoordinateSystem constitutes a frame of reference for the observation of Properties owned by other Systems. @@ -303,44 +303,44 @@ The following classes and relations from the Meta Model are used (i.e., refined) - + - - + + - + - + - + - - + + - - + + - - + + - - + + A CoordinateValue serves as a backdrop for some Values, yet it cannot have a backdrop of its own. @@ -348,45 +348,45 @@ The following classes and relations from the Meta Model are used (i.e., refined) - + - + - + - + - + - + - + - + - + - + - + - + - + - + 2 diff --git a/OntoCAPE/upper_level/network_system.owl b/OntoCAPE/upper_level/network_system.owl index 48922f6..2279bb7 100644 --- a/OntoCAPE/upper_level/network_system.owl +++ b/OntoCAPE/upper_level/network_system.owl @@ -1,17 +1,17 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:network_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -20,18 +20,18 @@ The ontology module 'network_system' introduces a structured representation for general network systems, which is applicable in such different domains as biology, sociology, and engineering. The following classes and relations of other ontology modules are used within 'network_system': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#AspectSystem"> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#CompositeSystem"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#SystemInterface"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isComposedOfSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isConnectedTo"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isSubsystemOf"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#AspectSystem"> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#CompositeSystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#SystemInterface"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isComposedOfSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isConnectedTo"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isSubsystemOf"/> 2.0 @@ -49,60 +49,60 @@ The following classes and relations of other ontology modules are used within &a - + - - - - - + + + + + The relation Enters interconnects an ingoing DirectedConnection to its target Device. - + - - - - + + + + The relation hasInput connects a Device to an incoming DirectedConnection. - + - - - - - + + + + + The relation hasOutput connects a Device to an outgoing DirectedConnection. - + - - - + + + - - + + - - + + @@ -111,24 +111,24 @@ The following classes and relations of other ontology modules are used within &a - + - - + + - - + + - - + + @@ -137,31 +137,31 @@ The following classes and relations of other ontology modules are used within &a - + - - - - + + + + The relation Leaves connects an outgoing DirectedConnection to its source Device. - + - - - + + + - + - + - - + + @@ -182,19 +182,19 @@ The following classes and relations of other ontology modules are used within &a - + - - + + - + - - - + + + @@ -202,14 +202,14 @@ The following classes and relations of other ontology modules are used within &a - + - - - - + + + + @@ -217,12 +217,12 @@ The following classes and relations of other ontology modules are used within &a - + - - + + @@ -230,81 +230,81 @@ The following classes and relations of other ontology modules are used within &a - - + + - + 2 - + Connections are those elements of a NetworkSystem that represent the linkages between the Devices. - + - - + + - - + + - - + + - - + + - + 1 - + A ConnectionPoint represents the interface through which a Connection can be connected to the Port of a device. ConnectionPoints may have certain attributes that further specify the type of connection. ConnectionPoints are subsystems of the corresponding Connection or DirectedConnection, respectively. - + - - + + - - + + - - + + - + - - - + + + @@ -312,14 +312,14 @@ The following classes and relations of other ontology modules are used within &a - + - - - - + + + + @@ -327,12 +327,12 @@ The following classes and relations of other ontology modules are used within &a - + - - + + @@ -340,8 +340,8 @@ The following classes and relations of other ontology modules are used within &a - - + + Devices are the crucial elements of a NetworkSystem, holding the major functionality. @@ -349,37 +349,37 @@ The following classes and relations of other ontology modules are used within &a - + - - + + - - + + - - + + - + 0 - + 1 - + 1 @@ -388,19 +388,19 @@ The following classes and relations of other ontology modules are used within &a - + - + - + - - + + - + 1 @@ -408,13 +408,13 @@ The following classes and relations of other ontology modules are used within &a - + 0 - + 0 @@ -422,20 +422,20 @@ The following classes and relations of other ontology modules are used within &a - + - + - + - - + + - - + + @@ -443,19 +443,19 @@ The following classes and relations of other ontology modules are used within &a - - + + - + - - + + @@ -466,31 +466,31 @@ The following classes and relations of other ontology modules are used within &a - + - - + + - - + + - - + + - - + + - + 1 diff --git a/OntoCAPE/upper_level/system.owl b/OntoCAPE/upper_level/system.owl index 6833caa..6ce4010 100644 --- a/OntoCAPE/upper_level/system.owl +++ b/OntoCAPE/upper_level/system.owl @@ -1,19 +1,19 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl" + xmlns:mereology="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -22,12 +22,12 @@ The ontology module 'system' constitutes the top level of the OntoCAPE ontology. It establishes the fundamental design paradigm of general systems theory according to which the ontology is organized- To this end, the module introduces the constitutive systems-theoretical and physicochemical primitives, such as System, Property, PhysicalQuantity, PhysicalDimension, etc., and specifies their mutual relations. The following classes and relations of the Meta Model are used (i.e., refined) within the 'system' module: -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#FeatureSpace"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#Object"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#NonExhaustiveValueSet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#FeatureSpace"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#Object"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#NonExhaustiveValueSet"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#object-featureRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#object-featureRelation"/> 2.0 @@ -62,33 +62,33 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + - - + + The relation Comprises indicates the members of a PropertySet. - + - - + + The relation ComprisesDirectly indicates the direct members of a PropertySet. - + - - + + - + The Contains relation constitutes an alternative to the hasSubsystem relation. It should be used instead of hasSubsystem - if the hasSubsystem relation causes performance problems, or - if only one side of the aggregation relation is of interest, namely the indication of the constituting elements of a supersystem @@ -96,11 +96,11 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - - + + + The relation containsDirectly is an alternative to the hasDirectSubsystem relation. It should be used instead of hasDirectSubsystem - if the hasDirectSubsystem relation causes performance problems, or - if only one side of the aggregation relation is of interest, namely the indication of the direct constituents Supersystem. @@ -108,26 +108,26 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - - - + + + + The relation hasAspectSystem designates the AspectSystems of a System. - + - - + + - - + + @@ -136,295 +136,295 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - + - - + + - + The relation hasDimension specifies the PhysicalDimension of a PhysicalQuantity or a UnitOfMeasure. - + - - - - - - + + + + + + The relation hasDirectSubsystem refers from a Supersystem to its direct Subsystem. - + - - - + + + - - + + The relation hasProperty indicates the Properties of a System. - + - - - + + + - - + + The relation hasSubsystem denotes the relation between a Supersystem and its Subsystem. - + - - + + - - + + The relation hasUnitOfMeasure establishes the UnitOfMeasure of a ScalarValue. - + - - - + + + - - + + The hasValue relation designates the Values of a Property. - + - - - - - + + + + + The isBackdropOf relation states that the Value serves as a backdrop for the observation of some other Value. - + - - - - + + + + The relation isComposedOf indicates the non-sharable, direct Subsystem of a Supersystem. - + - - - + + + - - + + The relation isConnectedTo represents topological connectivity between System. - + - - - - + + + + The relation isConsideredUnderAspectOf indicates the type of an AspectSystem by referring to an instance of the Aspect class. - + - - - - - + + + + + The relation isDirectlySubsystemOf links a Subsystem to its direct Supersystem. - + - - - + + + The relation isDirectlyConnectedTo denotes the direct topological connectedness of two System. - + - - - + + + The relation isDirectlyRelatedTo subsumes all kinds of direct inter-system relations. - + - - - - + + + + The relation isExclusivelySubsystemOf links a non-sharable Subsystem to its direct Supersystem. - + - - - - - + + + + + The relation isModeldBy points from a modeled System to its Model. - + - - - - + + + + The isObservedAgainstBackdrop relation maps a Value against a backdrop Value. - + - - + + - - + + The relation isPropertyOf links a Property instance to a System instance. - + - - - + + + - - + + The relation isRelatedTo subsumes all kinds of inter-system relations. - + - - + + - - + + The relation isSubsystemOf refers from a Subsystem to its Supersystem. - + - - + + - - + + The relation isValueOf assigns a Value to a Property. - + - - - - + + + + The relation 'models' links a Model to the modeled System. - + - - - - + + + + The relation qualitativeValue specifies the actual value of a QualitativeValue. - + - - - + + + The relation representsAspectOf links a AspectSystem to its respective System. - + - + - + - + @@ -439,19 +439,19 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + The attribute numericalValue specifies the number part of a QuantitativeValue. - + - - + + The Value attribute holds the actual value of a QualitativeValue. @@ -468,87 +468,87 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - - - + + + + An aspect represents a particular viewpoint of a system. An instance of the aspect class explicitly denominates that viewpoint. - + - + - + - - + + - - + + - - + + - - + + - + 1 - + 1 - + An AspectSystem is an ExclusiveSubsystem that contains those system components, relationships, and constraints that are of relevance to a particular Aspect. - + - + - - + + - + - - + + - - + + A CompositeSystem is a System that is composed of other Systems. @@ -556,15 +556,15 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - + - + - + 1 @@ -575,51 +575,51 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - + - + - + - - + + - + 0 - + An ElementarySystem is a Subsystem that cannot further partitioned into Subsystems. - + - + - - + + - + - - + + An ExclusiveSubsystem is a direct subsystem of a CompositeSystem; it cannot be a direct subsystem of any other System. @@ -627,63 +627,63 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - - + + + An ExtensibleValueSet is a ValueEnumeration which, unlike a FixedValueSet, is not defined by an (exhaustive) enumeration of its instances. Thus, the number of possible values may change at run time. - + - + - - + + - + - - + + - + A Subsystem at the first level of decomposition. - + - - + + A FixedValueSet is a ValueEnumeration that is defined by an exhaustive enumeration of its instances. Thus, the number of possible values is fixed. - + - + - + - + - + - - + + @@ -697,24 +697,24 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - + - + - - + + - - + + A Model is a system that is used to enable the understanding of or the command over the original system, or to replace the original system. Model system and original system share certain characteristics that are of relevance to the task at hand (Wüsteneck, 1963). @@ -722,25 +722,25 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + - - + + - + 1 - + 0 @@ -749,45 +749,45 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - - + + + A PhysicalDimension is a characteristic associated with PhysicalQuantities and UnitsOfMeasure for purposes of organization or differentiation. Mass, length, and force are exemplary instances of PhysicalDimension. - + - + - + - - + + - - + + - - + + - + 1 @@ -796,65 +796,65 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + - - + + - - + + - + 1 - - + + The Property class represents the individual properties (traits, qualities) of a System, which distinguish the System from others. Typical examples are Size, Color, or Weight, which are modeled as subclasses of Property. - + - + - + - - + + - - + + - + 0 - - + + A Property set constitutes an (unordered) collection of Properties, which may be of different types. @@ -862,21 +862,21 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + - + 0 - + 1 @@ -884,11 +884,11 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + 1 - + 0 @@ -900,11 +900,11 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - - + + - + 1 @@ -912,34 +912,34 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - - + + - + A QualitativeValue is a value that is not (numerically) quantifiable. - + - + - + - - + + - - + + A QuantitativeValue is the value of a PhysicalQuantity. @@ -947,14 +947,14 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + - - + + A ScalarQuantity is a scalar-valued PhysicalQuantity. @@ -962,31 +962,31 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + - - + + - - + + - + 1 - + 1 @@ -995,20 +995,20 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - + - - + + - + - - + + A Subsystem at the second level of decomposition. @@ -1016,50 +1016,50 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - + - + - - + + - - + + - + A Subsystem is a System that is a constituent of another System. - + - + - + - - + + - - + + A Supersystem is a System that has some constituent Subsystems. @@ -1067,24 +1067,24 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + - - + + - + - - + + @@ -1092,40 +1092,40 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - - + + - - + + - - + + - + The System class denotes all kind of systems, which may be physical or abstract - + - + - + - + @@ -1133,22 +1133,22 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - - + + - - + + - - + + @@ -1156,7 +1156,7 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + @@ -1165,19 +1165,19 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + - - + + - + 1 @@ -1186,28 +1186,28 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - + - + - + - - + + - + 0 @@ -1216,25 +1216,25 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + - - + + - - + + - + 1 @@ -1243,31 +1243,31 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + - - + + - - + + - - + + - + 1 @@ -1276,38 +1276,38 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - + - - + + - + A ValueEnumeration specifies a (finite) set of possible values of a QualitativeValue. - + - + - + - + - + - + @@ -1322,10 +1322,10 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + Sample system; used for the construction of the query classes SystemEnvironment and InternalProperties. diff --git a/OntoCAPE/upper_level/technical_system.owl b/OntoCAPE/upper_level/technical_system.owl index b2859f8..f85c7f4 100644 --- a/OntoCAPE/upper_level/technical_system.owl +++ b/OntoCAPE/upper_level/technical_system.owl @@ -1,18 +1,18 @@ - - - + xmlns:technical_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/technical_system.owl#" + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -21,23 +21,23 @@ The ontology module 'technical_system' introduces the class TechnicalSystem and its major AspectSystems. A TechnicalSystem is a special type of a system which has been developed through an engineering design process in order to fulfill some required function. The following classes and relations of other ontology modules are used within 'technical_system': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#Aspect"> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#AspectSystem"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#PhysicalDimension"> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#Property"> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#UnitOfMeasure"> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#Aspect"> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#AspectSystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#PhysicalDimension"> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#Property"> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#UnitOfMeasure"> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasAspectSystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isConsideredUnderAspectOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectlyRelatedTo"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#representsAspectOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasAspectSystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isConsideredUnderAspectOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectlyRelatedTo"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#representsAspectOf"/> The following classes and relations of the Meta Model are used (i.e., refined) within 'technical_system': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#NonExhaustiveValueSet"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#NonExhaustiveValueSet"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#object-featureRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/meta_model/fundamental_concepts/fundamental_concepts.owl#object-featureRelation"/> 2.0 @@ -54,263 +54,263 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - + - + - + - + - + - + - + - + - + - + - - - - - + + + + + The constrains relation indicates that a SystemRealization imposes constraints on the SystemBehavior. - + - - - - - + + + + + The relation Evaluates refers from a performance measure to the AspectSystem the performance of which is evaluated. - + - - - - - + + + + + The Fulfills relation states that a SystemFunction fulfills a particular SystemRequirement. - + - - - + + + - - + + The relation points to the behavioral aspect of a TechnicalSystem. - + - - - + + + - - + + The relation points to the functional aspect of a TechnicalSystem. - + - - - + + + - - + + The relation points to the performance aspect of a TechnicalSystem. - + - - - - + + + + The relation hasPerformance points from an AspectSystem, the performance of which is evaluated, to the performance measure. - + - - - - + + + + The relation hasPhenomenon assings a Phenomenon to a SystemBehavior. - + - - - + + + - - + + The relation points to the realization aspect of a TechnicalSystem. - + - - - + + + - + The relation points to the requirements aspect of a TechnicalSystem. - + - - - - + + + + The relation isAchievedThrough states that a SystemRequirement can be achieved by means of a some SystemFunction. - + - - - - + + + + The constrains relation states that the SystemBehavior is limited by the constraints imposed by the SystemRealization. - + - - - - + + + + The relation indicates which Properties are influenced by a particular Phenomenon. - + - - - - - + + + + + The relation isRealizedBy states that a SystemFunction is implemented by some SystemRealization. - + - - - - + + + + The relation realizes states that a SystemRealization implements a particular SystemFunction. - + - - - - + + + + The relation refers from a SystemBehavior to the overall TechnicalSystem. - + - - - - + + + + The relation refers from a SystemFunction to the overall TechnicalSystem. - + - - - - + + + + The relation refers from a SystemPerformance to the overall TechnicalSystem. - + - - - - + + + + The relation refers from a SystemRealization to the overall TechnicalSystem. - + - - - + + + The relation refers from the SystemRequirements to the overall TechnicalSystem. @@ -327,250 +327,250 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - + - + - - + + - + - + - + - - + + - + - + - - + + - + - + - + - - + + - + - - + + A Phenomenon denotes a typical mode of behavior exhibited by a TechnicalSystem, thus providing a qualitative description of a recurring SystemBehavior. - + - + - - + + - + - - + + - - + + - - + + - - + + - - - - + + + + The SystemBehavior describes how a TechnicalSystem operates under certain conditions; this description can be of qualitative or quantitative nature. - + - + - - + + - + - - + + - - + + - - + + - - + + - - - + + + A system function describes the desired behavior of a technical system from a de-vice-centric perspective (cf. Chandrasekaran and Josephson 2000). To indicate the system function of a technical system, the conceptual design of the technical system must be specified in terms of the underlying physicochemical and/or technical principles. - + - + - - + + - + - - + + - - + + - - + + The system performance concept constitutes a performance measure for the evalua-tion and benchmarking of technical systems. Different performance measures are possible, depending on the chosen evaluation criterion. Typical criteria would be safety, reliability, ecological performance, and economic performance. - + - + - - + + - + - - + + - - + + - - + + - - + + - + The SystemRealization represents the physical (or virtual) constitution of the TechnicalSystem. In case of a physical system, the SystemRealization describes the system’s physical structure, including its geometrical and mechanical properties. In case of a non-physical system, the SystemRealization reflects the logical or abstract structure of the system; moreover, it may describe the (physical) implementation of the non-physical system. - + - + - - + + - + - - + + - - + + - - + + The system requirements specify the desired behavior of a technical system from an environment-centric perspective (cf. Chandrasekaran and Josephson 2000). From the perspective of systems requirements, the technical system is viewed as a black box: Its structure and the underling physical and technical principles are not con-sidered; only the effect on the environment is specified. @@ -578,67 +578,67 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + - - + + - - + + - - + + - - + + - - + + - + 1 - + 1 - + 1 - + 1 - + 1 @@ -664,46 +664,46 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - + - - + + Explicitly designates a behavioral AspectSystem. - + - - + + Explicitly designates a functional AspectSystem. - + - - + + Explicitly designates an AspectSystem that represents the aspect of performance. - + - - + + Explicitly designates an AspectSystem that represents the aspect of realization. - + - - + + Explicitly designates an AspectSystem that represents the aspect of requirements. @@ -720,11 +720,11 @@ The following classes and relations of the Meta Model are used (i.e., refined) w - - - - - + + + + + diff --git a/OntoCAPE/upper_level/tensor_quantity.owl b/OntoCAPE/upper_level/tensor_quantity.owl index 48922f6..2279bb7 100644 --- a/OntoCAPE/upper_level/tensor_quantity.owl +++ b/OntoCAPE/upper_level/tensor_quantity.owl @@ -1,17 +1,17 @@ - - - + xmlns:system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#" + xmlns:network_system="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/network_system.owl"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -20,18 +20,18 @@ The ontology module 'network_system' introduces a structured representation for general network systems, which is applicable in such different domains as biology, sociology, and engineering. The following classes and relations of other ontology modules are used within 'network_system': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#AspectSystem"> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#CompositeSystem"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#System"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#SystemInterface"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#hasSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isComposedOfSubsystem"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isConnectedTo"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/OntoCAPE/upper_level/system.owl#isSubsystemOf"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#AspectSystem"> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#CompositeSystem"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#System"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#SystemInterface"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasDirectSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#hasSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isComposedOfSubsystem"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isConnectedTo"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectlyConnectedTo"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isDirectSubsystemOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/OntoCAPE/upper_level/system.owl#isSubsystemOf"/> 2.0 @@ -49,60 +49,60 @@ The following classes and relations of other ontology modules are used within &a - + - - - - - + + + + + The relation Enters interconnects an ingoing DirectedConnection to its target Device. - + - - - - + + + + The relation hasInput connects a Device to an incoming DirectedConnection. - + - - - - - + + + + + The relation hasOutput connects a Device to an outgoing DirectedConnection. - + - - - + + + - - + + - - + + @@ -111,24 +111,24 @@ The following classes and relations of other ontology modules are used within &a - + - - + + - - + + - - + + @@ -137,31 +137,31 @@ The following classes and relations of other ontology modules are used within &a - + - - - - + + + + The relation Leaves connects an outgoing DirectedConnection to its source Device. - + - - - + + + - + - + - - + + @@ -182,19 +182,19 @@ The following classes and relations of other ontology modules are used within &a - + - - + + - + - - - + + + @@ -202,14 +202,14 @@ The following classes and relations of other ontology modules are used within &a - + - - - - + + + + @@ -217,12 +217,12 @@ The following classes and relations of other ontology modules are used within &a - + - - + + @@ -230,81 +230,81 @@ The following classes and relations of other ontology modules are used within &a - - + + - + 2 - + Connections are those elements of a NetworkSystem that represent the linkages between the Devices. - + - - + + - - + + - - + + - - + + - + 1 - + A ConnectionPoint represents the interface through which a Connection can be connected to the Port of a device. ConnectionPoints may have certain attributes that further specify the type of connection. ConnectionPoints are subsystems of the corresponding Connection or DirectedConnection, respectively. - + - - + + - - + + - - + + - + - - - + + + @@ -312,14 +312,14 @@ The following classes and relations of other ontology modules are used within &a - + - - - - + + + + @@ -327,12 +327,12 @@ The following classes and relations of other ontology modules are used within &a - + - - + + @@ -340,8 +340,8 @@ The following classes and relations of other ontology modules are used within &a - - + + Devices are the crucial elements of a NetworkSystem, holding the major functionality. @@ -349,37 +349,37 @@ The following classes and relations of other ontology modules are used within &a - + - - + + - - + + - - + + - + 0 - + 1 - + 1 @@ -388,19 +388,19 @@ The following classes and relations of other ontology modules are used within &a - + - + - + - - + + - + 1 @@ -408,13 +408,13 @@ The following classes and relations of other ontology modules are used within &a - + 0 - + 0 @@ -422,20 +422,20 @@ The following classes and relations of other ontology modules are used within &a - + - + - + - - + + - - + + @@ -443,19 +443,19 @@ The following classes and relations of other ontology modules are used within &a - - + + - + - - + + @@ -466,31 +466,31 @@ The following classes and relations of other ontology modules are used within &a - + - - + + - - + + - - + + - - + + - + 1 diff --git a/meta_model/data_structures/array.owl b/meta_model/data_structures/array.owl index a8ece1d..84b6453 100644 --- a/meta_model/data_structures/array.owl +++ b/meta_model/data_structures/array.owl @@ -1,18 +1,18 @@ - - - + xmlns:mereology="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -21,16 +21,16 @@ The ontology module 'array' defines a design pattern for the implementation of arrays. The following classes and relations from other ontology modules are used within 'array': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#CompositeObject"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#CompositeObject"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#CoequalN-aryRelation"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/data_structures/array.owl#determinesPositionOf"> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#involvesObject"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#isInvolvedInN-aryRelation"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#relationAttribute"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#isComposedOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#isExclusivelyPartOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#PartOfCompositeObject"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#CoequalN-aryRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/array.owl#determinesPositionOf"> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#involvesObject"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#isInvolvedInN-aryRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#relationAttribute"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#isComposedOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#isExclusivelyPartOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#PartOfCompositeObject"/> @@ -48,17 +48,17 @@ The following classes and relations from other ontology modules are used within - + - - + + - + - + @@ -79,14 +79,14 @@ The following classes and relations from other ontology modules are used within - + - - - + + + - - + + 1:1 relation between an Element and the Index that determines the position of the Element in an Array. 1:1 relation between an Element and the Index that determines the position of the Element in an Array. @@ -94,64 +94,64 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + 1:1 relation between an Element and its Index. - + - - - + + + - - + + denotes the relation between an Index and the associated Array - + - - + + - - + + The relation between an Array and the Index by which it is ordered - + - + - + - + - + - + - + - + @@ -166,11 +166,11 @@ The following classes and relations from other ontology modules are used within - + - + - + @@ -187,37 +187,37 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + - - + + - - + + - + 2 @@ -226,26 +226,26 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + - - + + An Element is part of an Array. Its position within the Array is determined by an Index. @@ -253,49 +253,49 @@ The following classes and relations from other ontology modules are used within - + - + - - + + - + - - + + - - + + - - + + - + 1 - + 1 - + 1 @@ -304,21 +304,21 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - + @@ -330,7 +330,7 @@ The following classes and relations from other ontology modules are used within /////////////////////////////////////////////////////////////////////////////////////// --> - + indicates the numerical value of an Index diff --git a/meta_model/data_structures/binary_tree.owl b/meta_model/data_structures/binary_tree.owl index 6c3bd2f..dc063a6 100644 --- a/meta_model/data_structures/binary_tree.owl +++ b/meta_model/data_structures/binary_tree.owl @@ -1,17 +1,17 @@ - - - + xmlns:binary_tree="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/binary_tree.owl"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -20,9 +20,9 @@ The ontology module 'binary_tree' defines a design pattern for the implementation of binary trees. The following classes and relations from other ontology modules are used within 'array': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#Object"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#Object"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> @@ -57,93 +57,93 @@ The following classes and relations from other ontology modules are used within - + - - - + + + - - + + The ancestors of a Node are the Nodes that are traversed when moving up the tree (i.e., the Node’s parent, grandparent, etc.). - + - - - + + + The relation hasChild points to the children of a Node; it subsumes the relations hasLeftChild and hasRightChild. - + - - + + - - + + The descendents of a Node are the Nodes that are traversed when moving down the tree (i.e., the Node’s children, grandchildren, etc.). - + - - - - + + + + The relation hasLeftChild links a parent Node to its left child Node. - + - - - + + + The relation hasParent denotes the parent of a Node. - + - - - - + + + + The relation hasRightChild links a parent Node to its right child Node. - + - - + + - + - - + + The relation isRightChildOf points from the right child Node to its parent Node. - + - + @@ -158,46 +158,46 @@ The following classes and relations from other ontology modules are used within - + - + - + - - + + - - + + - + 1 - - + + An InternalNode is a Node that has one parent and at least one child. - + - + - + - + 0 @@ -205,56 +205,56 @@ The following classes and relations from other ontology modules are used within - - + + - + A Leaf is a Node without any children. - + - + - - - + + + - + - - + + - - + + - - + + - + 1 - + 1 @@ -263,15 +263,15 @@ The following classes and relations from other ontology modules are used within - + - + - + - + 0 @@ -279,8 +279,8 @@ The following classes and relations from other ontology modules are used within - - + + A RootNode is the root element of a binary tree. All other Nodes are descendents of the RootNode. @@ -288,9 +288,9 @@ The following classes and relations from other ontology modules are used within - + - + diff --git a/meta_model/data_structures/linked_list.owl b/meta_model/data_structures/linked_list.owl index 71de545..afbe968 100644 --- a/meta_model/data_structures/linked_list.owl +++ b/meta_model/data_structures/linked_list.owl @@ -1,18 +1,18 @@ - - - + xmlns:mereology="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#" + xmlns:linked_list="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/linked_list.owl"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -21,12 +21,12 @@ The ontology module 'linked_list' defines a design pattern for the implementation of a linked list. The following classes and relations from other ontology modules are used within 'linked_list': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#CompositeObject"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#PartOfCompositeObject"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#CompositeObject"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#PartOfCompositeObject"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#isComposedOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#isExclusivelyPartOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#isComposedOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#isExclusivelyPartOf"/> @@ -60,44 +60,44 @@ The following classes and relations from other ontology modules are used within - + - - - - - + + + + + points from a ListElement to the next ListElement - + - - - - + + + + points from a ListElement to the previous ListElement - + - + - + - + - + - + @@ -112,66 +112,66 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - + 0 - - + + The first ListElement of a LinkedList. - + - + - - + + - - + + - - + + A ListElement that is neither the first nor the last element of a LinkedList. - + - - + + - - + + - + 0 @@ -180,20 +180,20 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + A LinkedList is formed by a sequence of ListElements, each pointing to the next as well as to the previous ListElement. @@ -201,43 +201,43 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + - - + + - - + + - + 1 - + 1 @@ -246,15 +246,15 @@ The following classes and relations from other ontology modules are used within - + - + - + - + diff --git a/meta_model/data_structures/loop.owl b/meta_model/data_structures/loop.owl index 30e5a3d..37b5404 100644 --- a/meta_model/data_structures/loop.owl +++ b/meta_model/data_structures/loop.owl @@ -1,17 +1,17 @@ - - - + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -20,13 +20,13 @@ The ontology module 'loop' introduces a shorthand for representing structures that consist of repetitive, interlinked Objects The following classes and relations from other ontology modules are used within 'loop': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#CoequalN-aryRelation"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#Object"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#CoequalN-aryRelation"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#Object"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#involvesObject"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#isInvolvedInN-aryRelation"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#relationAttribute"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#involvesObject"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#isInvolvedInN-aryRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#relationAttribute"/> @@ -60,149 +60,149 @@ The following classes and relations from other ontology modules are used within - + - - - - - + + + + + denotes the final statement in a ForLoop - + - - - - - + + + + + subsumes the different statements of a ForLoop - + - - - - - + + + + + denotes the initial statement in a ForLoop - + - - - - + + + + denotes the final statement in a ForLoop - + - - - - + + + + denotes the initial statement in a ForLoop - + - - - - - + + + + + denotes the Objects that appear in each iteration of a ForLoop - + - - - - - + + + + + denotes the objects that in the next iteration of a ForLoop - + - - - - + + + + subsumes all the individuals that represent statements in a ForLoop - + - - - + + + - - + + Identity relation between an Object involved in a in a statementFor_i and an Object that appears in an ininitalStatement, a finalStatement, or a statementFor_iPlus1. - + - - - - + + + + denotes the objects that appear in each iteration of a ForLoop - + - - - - + + + + denotes the objects that in the next iteration of a ForLoop - + - + - + - + - + - + @@ -217,20 +217,20 @@ The following classes and relations from other ontology modules are used within - + - - - + + + indicates the number of iterations of a particular ForLoop - + - + @@ -245,32 +245,32 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - + - + - + - + - - + + @@ -283,20 +283,20 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - - + + @@ -309,26 +309,26 @@ The following classes and relations from other ontology modules are used within - - + + - + - + - + - + - - + + @@ -341,13 +341,13 @@ The following classes and relations from other ontology modules are used within - + 1 - + 1 @@ -356,15 +356,15 @@ The following classes and relations from other ontology modules are used within - + - + - + - + diff --git a/meta_model/data_structures/multiset.owl b/meta_model/data_structures/multiset.owl index 2413d22..1046913 100644 --- a/meta_model/data_structures/multiset.owl +++ b/meta_model/data_structures/multiset.owl @@ -1,18 +1,18 @@ - - - + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl" + xmlns:mereology="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -21,16 +21,16 @@ The ontology module 'multiset' defines a design pattern for the implementation of a multiset. The following classes and relations from other ontology modules are used within 'multiset': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#N-aryRelation"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#Aggregate"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#Part"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#hasTargetObject"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#hasOrigin"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#isOriginOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#relationAttribute"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#hasDirectPart"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#isDirectPartOf"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#N-aryRelation"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#Aggregate"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#Part"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#hasTargetObject"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#hasOrigin"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#isOriginOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#relationAttribute"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#hasDirectPart"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#isDirectPartOf"/> @@ -47,17 +47,17 @@ The following classes and relations from other ontology modules are used within - + - - + + - + - + @@ -78,69 +78,69 @@ The following classes and relations from other ontology modules are used within - + - - - + + + - - + + The relation hasMultiplicity points from a Member to a Multiplicity that indicates the number of its appearances in a particular Multiset. - + - - + + - - + + The relation indicatesMultiplicityOf assigns a Multiplicity to the corresponding Member. - + - - - - + + + + The relation refersToMultiset assigns a Multiplicity to the corresponding Multiset. - + - + - + - + - + - + - + - + - + - + @@ -155,11 +155,11 @@ The following classes and relations from other ontology modules are used within - + - + - + @@ -176,36 +176,36 @@ The following classes and relations from other ontology modules are used within - + - + - + - - + + - - + + - - + + - - + + A Member is an element of a Multiset; it has a multiplicity that indicates the number of its appearances in the multiset. @@ -213,49 +213,49 @@ The following classes and relations from other ontology modules are used within - + - + - - + + - + - - + + - - + + - - + + - + 1 - + 1 - + 1 @@ -264,24 +264,24 @@ The following classes and relations from other ontology modules are used within - + - + - + - - + + - - + + A Multiset differs from an ordinary Aggregate in that each of its parts (Members) has an associated Multiplicity, which indicates the number of its appearances in the Multiset. @@ -289,21 +289,21 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - + @@ -315,7 +315,7 @@ The following classes and relations from other ontology modules are used within /////////////////////////////////////////////////////////////////////////////////////// --> - + The attribute 'multiplicity' indicates the numerical value of a Multiplicity. diff --git a/meta_model/fundamental_concepts/fundamental_concepts.owl b/meta_model/fundamental_concepts/fundamental_concepts.owl index b34f8f0..fc68d5e 100644 --- a/meta_model/fundamental_concepts/fundamental_concepts.owl +++ b/meta_model/fundamental_concepts/fundamental_concepts.owl @@ -1,6 +1,6 @@ - - + xmlns:fundamental_concepts="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#"> + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -48,58 +48,58 @@ - + - - - - + + + + The relation identifies the Object that is the origin of a DirectedN-aryRelation - + - - - + + + The relation hasTarget identifies the Objects or feature values (i.e., instances of FeatureSpace) that are the targets of a DirectedN-aryRelation. - + - - - - - + + + + + The relation identifies the Objects or feature values (i.e., instances of FeatureSpace) that are the targets of a DirectedN-aryRelation. - + - - - + + + subsumes all types of binary relations between Objects - + - - + + - - + + @@ -108,62 +108,62 @@ - + - - - - - + + + + + identifies the Objects involved in an n-ary relation - + - - - + + + denotes the relation between an Object and a RelationClass - + - - + + The relation isOfType assigns value types to Objects. Based on this characteristics, a reasoner can infer if an Object belongs to a predefined ontology view. - + - - - + + + denotes the relation between the originating Object and a DirectedN-aryRelation - + - - - + + + denotes the relation between the target Object and a DirectedN-aryRelation - + - - - + + + The relation object-featureRelation denotes the relation between an Object and its feature values (i.e., instances of FeatureSpace). @@ -180,10 +180,10 @@ - + - - + + relationAttribute identifies the datatype value that characterizes a relation class @@ -200,38 +200,38 @@ - + - - + + - + 0 - + 0 - + CoequalN-aryRelation describes an n-ary relation among three or more individuals or dataype values. None of the individuals involved in the relation stands out as the origins (or owner) of the relation. - + - + - + - - + + @@ -242,17 +242,17 @@ - + 1 - + 1 - + 2 @@ -260,12 +260,12 @@ - + - - + + @@ -273,18 +273,18 @@ - - + + - + - - + + @@ -292,8 +292,8 @@ - - + + DirectedN-aryRelation describes an n-ary relation among three or more individuals or datatype values. Some of the individuals involved in the n-ary relation are distinguished from the others in that they are origins of the relation. @@ -301,79 +301,79 @@ - + - + - - - + + + - - + + An entity can be characterized by means of descriptive features (qualities, characteristics). There are various ways how to model the values of such features, for example by representing the values as partitions of a classes or as enumerations of individuals (cf. http://www.w3.org/TR/swbp-specified-values/ for a detailed discussion of this issue). A feature space defines the range of values that a particular feature can take, and the class FeatureSpace subsumes the different ways to define such a feature space. - + - - - - + + + + A NonExhaustiveValueSet is a FeatureSpace that represents its possible values through individuals. These individuals, which are typically declared to be all different from each other, are instances of the NonExhaustiveValueSet. Note that, in contrast to a ValueSet, this class is not defined by an (exhaustive) enumeration of its instances. Thus, the number of individuals may change at run time. - + - + - - + + - - + + - - + + - - + + - + Object is a generic concept that subsumes all the (physical and abstract) entities that exist in an application domain. TODO: Check if Object and RelationClass can be made disjoint - + - + - - + + @@ -384,17 +384,17 @@ - + 2 - + 1 - + 3 @@ -402,18 +402,18 @@ - - + + - + - - + + @@ -421,8 +421,8 @@ - - + + The OWL language merely provides language primitives to establish binary relations between two individuals or between an individual and a datatype value. To create an n-ary relation that links three or more individuals or datatype values, an auxiliary RelationClass needs to be introduced, which acts as an intermediate node. RelationClass is a generic concept that subsumes the different types of n-ary relations that can be defined (cf. http://www.w3.org/TR/swbp-n-aryRelations/). @@ -430,13 +430,13 @@ - + - - + + - + 1 @@ -445,20 +445,20 @@ - + - - - + + + A ValuePartition is a FeatureSpace that represents its possible values through disjoint subclasses. These subclasses exhaustively partition the feature space and can in turn be further subpartitioned. It is possible to define alternative partitionings of the same feature space. Further details about this particular type of feature space can be found on http://www.w3.org/TR/swbp-specified-values/ ("Pattern 2: Values as subclasses partitioning a feature"). - + - - + + A ValueSet is a FeatureSpace that represents its possible values through individuals. These individuals, which are typically declared to be all different from each other, are instances of the ValueSet. The ValueSet is sufficiently defined by an exhaustive enumeration of its instances. diff --git a/meta_model/mereology/mereology.owl b/meta_model/mereology/mereology.owl index e6af1ad..907b139 100644 --- a/meta_model/mereology/mereology.owl +++ b/meta_model/mereology/mereology.owl @@ -1,17 +1,17 @@ - - - + xmlns:mereology="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl"> + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -19,8 +19,8 @@ The ontology module 'mereology' establishes aggregation and composition relations between objects. The following classes and relations from other ontology modules are used within 'mereology': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#Object"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#Object"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> @@ -37,64 +37,64 @@ The following classes and relations from other ontology modules are used within - + - - - + + + Parthood relation that indicates the direct Parts of an Object, i.e., the Parts on the next level breakdown. - + - - - + + + - - + + Parthood relation that refers from an Aggregate to its Parts. - + - - - + + + Parthood relation that indicates the direct parts of a CompositeObject. The parts of the CompositeObject are non-shareable, i.e. a part cannot be part of more than one CompositeObject. If the CompositeObject is destroyed, all its parts are destroyed, as well. - + - - + + Parthood relation that links a Part to the Object on the next aggregation level. - + - - + + Parthood relation that links a part to a CompositeObject on the next aggregation level. - + - - + + - - + + Parthood relation that refers from a Part to the Aggregate. @@ -111,74 +111,74 @@ The following classes and relations from other ontology modules are used within - + - + - + - - + + - - + + - + An Object that has one or more distinct parts. - + - + - + - + - + 0 - - + + An Object that has one or more distinct Parts and is not part of any Object itself. - + - + - - + + - + - - + + An Object that is composed of one or more Objects. The parts of the CompositeObject are non-shareable, i.e. an Object that is part of a CompositeObject cannot be part of another CompositeObject. @@ -186,40 +186,40 @@ The following classes and relations from other ontology modules are used within - + - + - - + + - - + + A Part at the first level of decomposition. - + - + - + - - + + - - + + An Object that is part of another Object. A Part can be part of more than one Object. @@ -227,25 +227,25 @@ The following classes and relations from other ontology modules are used within - + - + - - + + - + - - + + - + 1 @@ -254,42 +254,42 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + 0 - + - + - + - - + + - + diff --git a/meta_model/meta_model.owl b/meta_model/meta_model.owl index 9da2f96..33d670b 100644 --- a/meta_model/meta_model.owl +++ b/meta_model/meta_model.owl @@ -1,29 +1,29 @@ - - - - - - - - + xmlns:multiset="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/multiset.owl#" + xmlns:topology="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/topology/topology.owl#" + xmlns:mereology="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#" + xmlns:binary_tree="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/binary_tree.owl#" + xmlns:linked_list="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/data_structures/linked_list.owl#"> + + + + + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. diff --git a/meta_model/topology/topology.owl b/meta_model/topology/topology.owl index 3a9fb55..856faa5 100644 --- a/meta_model/topology/topology.owl +++ b/meta_model/topology/topology.owl @@ -1,18 +1,18 @@ - - - - + xmlns:topology="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/topology/topology.owl" + xmlns:mereology="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#"> + + + Copyright (C) [2009] [Andreas Wiesner] This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. @@ -21,18 +21,18 @@ The ontology module 'topology' extends the mereological therory defined in the ontology module 'mereology' to a theory of mereotopology. It provides concepts for describing topological relations between objects. The following classes and relations from other ontology modules are used within 'topology': -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#Object"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#AggregateOnly"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#FirstLevelPart"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#Part"/> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#PartOnly"> -<owl:Class rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#SecondLevelPart"/> - -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#hasDirectPart"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#hasPart"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#isDirectPartOf"/> -<owl:ObjectProperty rdf:about="https://github.com/sustainable-processes/ontology/meta_model/mereology/mereology.owl#isPartOf"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#Object"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#AggregateOnly"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#FirstLevelPart"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#Part"/> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#PartOnly"> +<owl:Class rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#SecondLevelPart"/> + +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/fundamental_concepts/fundamental_concepts.owl#inter-objectRelation"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#hasDirectPart"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#hasPart"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#isDirectPartOf"/> +<owl:ObjectProperty rdf:about="https://raw.githubusercontent.com/sustainable-processes/ontology/refs/heads/main/meta_model/mereology/mereology.owl#isPartOf"/> @@ -66,76 +66,76 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - + - + - + - + - + - + - + - - - - - + + + + + The relation 'enters' connects an ingoing DirectedArc to its target Node. - + - - - - + + + + The relation 'hasInput' connects a Node to an incoming DirectedArc. - + - - - - - + + + + + The relation 'hasOutput' connects a Node to an outgoing DirectedArc. - + - - - + + + The topological relation 'isConnectedTo' represents connectedness between Objects. @@ -143,35 +143,35 @@ The following classes and relations from other ontology modules are used within - + - - + + The topological relation isDirectlyConnectedTo represents the direct connectedness of two objects. - + - - - + + + - - + + - - + + @@ -180,24 +180,24 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + @@ -206,31 +206,31 @@ The following classes and relations from other ontology modules are used within - + - - - - + + + + The relation 'leaves' connects an outgoing DirectedArc to its source Node. - + - - - + + + - + - + - - + + @@ -251,83 +251,83 @@ The following classes and relations from other ontology modules are used within - + - + - + - + - - + + - + - + - - + + - + - + - + - + - - + + - + - + - - + + - + - - + + - + - - - + + + @@ -335,14 +335,14 @@ The following classes and relations from other ontology modules are used within - + - - - - + + + + @@ -350,12 +350,12 @@ The following classes and relations from other ontology modules are used within - + - - + + @@ -363,63 +363,63 @@ The following classes and relations from other ontology modules are used within - - + + - + 2 - + Arc is a specialization of Object and represents the connecting element between Nodes. - + - - + + - - + + - - + + - - + + - + ConnectionPoint represents the interface through which an Arc can be connected to the Port of a Node. ConnectionPoints may have certain attributes that further specify the type of connection. ConnectionPoints are Parts of the corresponding Arc. - + - - + + - - + + - + 1 @@ -428,37 +428,37 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + - + 0 - + 1 - + 1 @@ -467,19 +467,19 @@ The following classes and relations from other ontology modules are used within - + - - + + - + - - - + + + @@ -487,14 +487,14 @@ The following classes and relations from other ontology modules are used within - + - - - - + + + + @@ -502,12 +502,12 @@ The following classes and relations from other ontology modules are used within - + - - + + @@ -515,20 +515,20 @@ The following classes and relations from other ontology modules are used within - - + + - - + + - - + + Node is a specialization of object and is used to model the crucial elements (joints) which are connected by arcs. @@ -536,26 +536,26 @@ The following classes and relations from other ontology modules are used within - + - - + + - - + + - - + + - - + + Ports represents the interface of nodes to connection points and are parts of the corresponding node