CompName
stringlengths 3
64
| SMILES
stringlengths 1
590
⌀ | Property
stringclasses 18
values | Value
float64 -268.93
426k
| unit
stringclasses 13
values | Source
stringclasses 1
value |
|---|---|---|---|---|---|
Ammonia | N | Viscosity | 0.276 | [mPas] | Wikipedia/Wikidata |
Ammonia | N | Vapor pressure | 857.3 | [kPa] | Wikipedia/Wikidata |
Ammonia | N | Refractive index | 1.3327 | [-] | Wikipedia/Wikidata |
Ammonia | N | Melting temperature | -77.73 | [oC] | Wikipedia/Wikidata |
Ammonia | N | Absolute molar magnetic susceptibility | 18 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Ammonia | N | Boiling temperature | -33.34 | [oC] | Wikipedia/Wikidata |
Acetylene | C#C | Melting temperature | -80.8 | [oC] | Wikipedia/Wikidata |
Acetylene | C#C | Absolute molar magnetic susceptibility | 12.5 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Acetylene | C#C | Absolute standard enthalpy of formation | 226.88 | [kJ/mol] | Wikipedia/Wikidata |
Adenosine triphosphate | O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O | Melting temperature | 187 | [oC] | Wikipedia/Wikidata |
Adenosine triphosphate | O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O | Density | 1.04 | [g/cm3] | Wikipedia/Wikidata |
Chemistry of ascorbic acid | OC=1C(OC(=O)C=1O)[C@@H](O)CO | Density | 1.65 | [g/cm3] | Wikipedia/Wikidata |
Amygdalin | O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3OC[C@H]2O[C@@H](OC(C#N)c1ccccc1)[C@H](O)[C@@H](O)[C@@H]2O | Melting temperature | 223 | [oC] | Wikipedia/Wikidata |
Bakelite | null | Density | 1.21 | [g/cm3] | Wikipedia/Wikidata |
Carbon dioxide | O=C=O | Viscosity | 0.7 | [mPas] | Wikipedia/Wikidata |
Carbon dioxide | O=C=O | Vapor pressure | 5,730 | [kPa] | Wikipedia/Wikidata |
Carbon dioxide | O=C=O | Refractive index | 1.00045 | [-] | Wikipedia/Wikidata |
Carbon dioxide | O=C=O | Melting temperature | -56.4 | [oC] | Wikipedia/Wikidata |
Carbon dioxide | O=C=O | Absolute molar magnetic susceptibility | 20.5 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Carbon dioxide | O=C=O | Molar Heat Capacity | 37.135 | [J/mol/K] | Wikipedia/Wikidata |
Carbon dioxide | O=C=O | Dipole Moment | 0 | [debye] | Wikipedia/Wikidata |
Carbon dioxide | O=C=O | Absolute standard enthalpy of formation | 393.5 | [kJ/mol] | Wikipedia/Wikidata |
Carbon monoxide | [C-]#[O+] | Refractive index | 1.000336 | [-] | Wikipedia/Wikidata |
Carbon monoxide | [C-]#[O+] | Melting temperature | -205.02 | [oC] | Wikipedia/Wikidata |
Carbon monoxide | [C-]#[O+] | Absolute molar magnetic susceptibility | 9.8 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Carbon monoxide | [C-]#[O+] | Molar Heat Capacity | 29.1 | [J/mol/K] | Wikipedia/Wikidata |
Carbon monoxide | [C-]#[O+] | Dipole Moment | 0.122 | [debye] | Wikipedia/Wikidata |
Carbon monoxide | [C-]#[O+] | Density | 0.789 | [g/cm3] | Wikipedia/Wikidata |
Carbon monoxide | [C-]#[O+] | Absolute standard enthalpy of formation | 110.5 | [kJ/mol] | Wikipedia/Wikidata |
Carbon monoxide | [C-]#[O+] | Boiling temperature | -191.5 | [oC] | Wikipedia/Wikidata |
Cellulose | null | Melting temperature | 260 | [oC] | Wikipedia/Wikidata |
Cellulose | null | Density | 1.5 | [g/cm3] | Wikipedia/Wikidata |
Cellulose | null | Absolute standard enthalpy of formation | 963 | [kJ/mol] | Wikipedia/Wikidata |
DDT | Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl | Melting temperature | 108.5 | [oC] | Wikipedia/Wikidata |
DDT | Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl | Density | 0.99 | [g/cm3] | Wikipedia/Wikidata |
DDT | Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl | Boiling temperature | 260 | [oC] | Wikipedia/Wikidata |
Dehydroepiandrosterone | O=C3[C@]2(CC[C@@H]1[C@@]4(C(=C/C[C@H]1[C@@H]2CC3)\C[C@@H](O)CC4)C)C | Melting temperature | 148.5 | [oC] | Wikipedia/Wikidata |
Ethylene | C=C | Melting temperature | -169.2 | [oC] | Wikipedia/Wikidata |
Ethylene | C=C | Absolute molar magnetic susceptibility | 15.3 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Ethylene | C=C | Absolute standard enthalpy of formation | 52.47 | [kJ/mol] | Wikipedia/Wikidata |
Ethylene | C=C | Boiling temperature | -103.7 | [oC] | Wikipedia/Wikidata |
Ethanol | null | Vapor pressure | 5.95 | [kPa] | Wikipedia/Wikidata |
Ethanol | null | Absolute molar magnetic susceptibility | 33.6 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Ethanol | null | Partition coefficient | -0.18 | [-] | Wikipedia/Wikidata |
Ethanol | null | Density | 3.246 | [g/cm3] | Wikipedia/Wikidata |
Guanine | c1[nH]c2c(n1)c(=O)nc(n2)N | Melting temperature | 360 | [oC] | Wikipedia/Wikidata |
Guanine | c1[nH]c2c(n1)c(=O)nc(n2)N | Density | 2.2 | [g/cm3] | Wikipedia/Wikidata |
Hydrogen peroxide | OO | Viscosity | 1.245 | [mPas] | Wikipedia/Wikidata |
Hydrogen peroxide | OO | Refractive index | 1.4061 | [-] | Wikipedia/Wikidata |
Hydrogen peroxide | OO | Melting temperature | -0.43 | [oC] | Wikipedia/Wikidata |
Hydrogen peroxide | OO | Absolute molar magnetic susceptibility | 17.7 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Hydrogen peroxide | OO | Heat Capacity | 1.267 | [J/g/K] | Wikipedia/Wikidata |
Hydrogen peroxide | OO | Dipole Moment | 2.26 | [debye] | Wikipedia/Wikidata |
Hydrogen peroxide | OO | Density | 1.45 | [g/cm3] | Wikipedia/Wikidata |
Hydrogen peroxide | OO | Absolute standard enthalpy of formation | 187.8 | [kJ/mol] | Wikipedia/Wikidata |
Hydrogen peroxide | OO | Boiling temperature | 150.2 | [oC] | Wikipedia/Wikidata |
Lithium carbonate | [Li+].[Li+].[O-]C([O-])=O | Refractive index | 1.428 | [-] | Wikipedia/Wikidata |
Lithium carbonate | [Li+].[Li+].[O-]C([O-])=O | Melting temperature | 723 | [oC] | Wikipedia/Wikidata |
Lithium carbonate | [Li+].[Li+].[O-]C([O-])=O | Absolute molar magnetic susceptibility | 27 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Lithium carbonate | [Li+].[Li+].[O-]C([O-])=O | Density | 2.11 | [g/cm3] | Wikipedia/Wikidata |
Lithium carbonate | [Li+].[Li+].[O-]C([O-])=O | Boiling temperature | 1,310 | [oC] | Wikipedia/Wikidata |
Nitric acid | [N+](=O)(O)[O-] | Refractive index | 1.397 | [-] | Wikipedia/Wikidata |
Nitric acid | [N+](=O)(O)[O-] | Melting temperature | -42 | [oC] | Wikipedia/Wikidata |
Nitric acid | [N+](=O)(O)[O-] | Density | 1.51 | [g/cm3] | Wikipedia/Wikidata |
Nitric acid | [N+](=O)(O)[O-] | Boiling temperature | 83 | [oC] | Wikipedia/Wikidata |
Purine | c1c2c(nc[nH]2)ncn1 | Melting temperature | 214 | [oC] | Wikipedia/Wikidata |
Pyrimidine | c1cncnc1 | Density | 1.016 | [g/cm3] | Wikipedia/Wikidata |
Pyrimidine | c1cncnc1 | Boiling temperature | 123 | [oC] | Wikipedia/Wikidata |
Paraffin wax | null | Melting temperature | 37 | [oC] | Wikipedia/Wikidata |
Phenol | c1ccc(cc1)O | Melting temperature | 40.5 | [oC] | Wikipedia/Wikidata |
Phenol | c1ccc(cc1)O | Dipole Moment | 1.224 | [debye] | Wikipedia/Wikidata |
Phenol | c1ccc(cc1)O | Density | 1.07 | [g/cm3] | Wikipedia/Wikidata |
Phenol | c1ccc(cc1)O | Boiling temperature | 181.7 | [oC] | Wikipedia/Wikidata |
Piperidine | C1CCNCC1 | Viscosity | 1.573 | [mPas] | Wikipedia/Wikidata |
Piperidine | C1CCNCC1 | Melting temperature | -7 | [oC] | Wikipedia/Wikidata |
Piperidine | C1CCNCC1 | Absolute molar magnetic susceptibility | 64.2 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Piperidine | C1CCNCC1 | Density | 0.862 | [g/cm3] | Wikipedia/Wikidata |
Piperidine | C1CCNCC1 | Boiling temperature | 106 | [oC] | Wikipedia/Wikidata |
Phenothiazine | c1ccc2c(c1)Nc3ccccc3S2 | Melting temperature | 185 | [oC] | Wikipedia/Wikidata |
Phenothiazine | c1ccc2c(c1)Nc3ccccc3S2 | Absolute molar magnetic susceptibility | 114.8 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Phenothiazine | c1ccc2c(c1)Nc3ccccc3S2 | Boiling temperature | 371 | [oC] | Wikipedia/Wikidata |
TNT | Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] | Melting temperature | 80.35 | [oC] | Wikipedia/Wikidata |
TNT | Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] | Density | 1.654 | [g/cm3] | Wikipedia/Wikidata |
TNT | Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] | Boiling temperature | 240 | [oC] | Wikipedia/Wikidata |
Toluene | Cc1ccccc1 | Viscosity | 0.59 | [mPas] | Wikipedia/Wikidata |
Toluene | Cc1ccccc1 | Refractive index | 1.497 | [-] | Wikipedia/Wikidata |
Toluene | Cc1ccccc1 | Melting temperature | -95 | [oC] | Wikipedia/Wikidata |
Toluene | Cc1ccccc1 | Absolute molar magnetic susceptibility | 66.11 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Toluene | Cc1ccccc1 | Dipole Moment | 0.36 | [debye] | Wikipedia/Wikidata |
Toluene | Cc1ccccc1 | Boiling temperature | 111 | [oC] | Wikipedia/Wikidata |
Polytetrafluoroethylene | null | Thermal Conductivity | 0.25 | [W/m/K] | Wikipedia/Wikidata |
Polytetrafluoroethylene | null | Melting temperature | 327 | [oC] | Wikipedia/Wikidata |
Polytetrafluoroethylene | null | Density | 2.2 | [g/cm3] | Wikipedia/Wikidata |
Testosterone | O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](O)CC[C@H]3[C@@H]1CC2)C)(C)CC4 | Melting temperature | 155 | [oC] | Wikipedia/Wikidata |
Urea | C(=O)(N)N | Absolute molar magnetic susceptibility | 33.4 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Urea | C(=O)(N)N | Density | 1.32 | [g/cm3] | Wikipedia/Wikidata |
Nitrous oxide | N#[N+][O-] | Vapor pressure | 5,150 | [kPa] | Wikipedia/Wikidata |
Nitrous oxide | N#[N+][O-] | Refractive index | 1.000516 | [-] | Wikipedia/Wikidata |
Nitrous oxide | N#[N+][O-] | Melting temperature | -90.86 | [oC] | Wikipedia/Wikidata |
Nitrous oxide | N#[N+][O-] | Absolute molar magnetic susceptibility | 18.9 | [10^-6 cm3/mol] | Wikipedia/Wikidata |