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 |
|---|---|---|---|---|---|
Xenon tetroxide | [O-][Xe+4]([O-])([O-])[O-] | Melting temperature | -35.9 | [oC] | Wikipedia/Wikidata |
Xenon tetroxide | [O-][Xe+4]([O-])([O-])[O-] | Boiling temperature | 0 | [oC] | Wikipedia/Wikidata |
Calcium sulfate | [Ca+2].[O-]S([O-])(=O)=O | Melting temperature | 1,460 | [oC] | Wikipedia/Wikidata |
Calcium sulfate | [Ca+2].[O-]S([O-])(=O)=O | Absolute molar magnetic susceptibility | 49.7 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Calcium sulfate | [Ca+2].[O-]S([O-])(=O)=O | Density | 2.96 | [g/cm3] | Wikipedia/Wikidata |
Barium hydroxide | [Ba+2].[OH-].[OH-] | Refractive index | 1.5 | [-] | Wikipedia/Wikidata |
Barium hydroxide | [Ba+2].[OH-].[OH-] | Melting temperature | 78 | [oC] | Wikipedia/Wikidata |
Barium hydroxide | [Ba+2].[OH-].[OH-] | Absolute molar magnetic susceptibility | 53.2 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Barium hydroxide | [Ba+2].[OH-].[OH-] | Density | 3.743 | [g/cm3] | Wikipedia/Wikidata |
Barium hydroxide | [Ba+2].[OH-].[OH-] | Absolute standard enthalpy of formation | 944.7 | [kJ/mol] | Wikipedia/Wikidata |
Barium hydroxide | [Ba+2].[OH-].[OH-] | Boiling temperature | 780 | [oC] | Wikipedia/Wikidata |
Hydrobromic acid | Br | Viscosity | 0.84 | [mPas] | Wikipedia/Wikidata |
Hydrobromic acid | Br | Melting temperature | -11 | [oC] | Wikipedia/Wikidata |
Hydrobromic acid | Br | Molar Heat Capacity | 29.1 | [J/mol/K] | Wikipedia/Wikidata |
Hydrobromic acid | Br | Density | 1.49 | [g/cm3] | Wikipedia/Wikidata |
Hydrobromic acid | Br | Absolute standard enthalpy of formation | 36.3 | [kJ/mol] | Wikipedia/Wikidata |
Hydrobromic acid | Br | Boiling temperature | 122 | [oC] | Wikipedia/Wikidata |
Coniine | N1[C@@H](CCC)CCCC1 | Melting temperature | -2 | [oC] | Wikipedia/Wikidata |
Coniine | N1[C@@H](CCC)CCCC1 | Boiling temperature | 166 | [oC] | Wikipedia/Wikidata |
Nitrobenzene | c1ccc(cc1)[N+](=O)[O-] | Melting temperature | 5.7 | [oC] | Wikipedia/Wikidata |
Nitrobenzene | c1ccc(cc1)[N+](=O)[O-] | Absolute molar magnetic susceptibility | 61.8 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Nitrobenzene | c1ccc(cc1)[N+](=O)[O-] | Density | 1.199 | [g/cm3] | Wikipedia/Wikidata |
Nitrobenzene | c1ccc(cc1)[N+](=O)[O-] | Boiling temperature | 210.9 | [oC] | Wikipedia/Wikidata |
Phenylthiocarbamide | C1=CC=C(C=C1)NC(=S)N | Density | 1.294 | [g/cm3] | Wikipedia/Wikidata |
Hydroiodic acid | I | Density | 1.7 | [g/cm3] | Wikipedia/Wikidata |
Hydroiodic acid | I | Boiling temperature | 127 | [oC] | Wikipedia/Wikidata |
Anthraquinone | O=C1c2ccccc2C(=O)c3ccccc13 | Melting temperature | 286 | [oC] | Wikipedia/Wikidata |
Anthraquinone | O=C1c2ccccc2C(=O)c3ccccc13 | Density | 1.308 | [g/cm3] | Wikipedia/Wikidata |
Anthraquinone | O=C1c2ccccc2C(=O)c3ccccc13 | Boiling temperature | 379.8 | [oC] | Wikipedia/Wikidata |
Oleic acid | CCCCCCCC\C=C/CCCCCCCC(O)=O | Absolute molar magnetic susceptibility | 208.5 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Oleic acid | CCCCCCCC\C=C/CCCCCCCC(O)=O | Density | 0.895 | [g/cm3] | Wikipedia/Wikidata |
Oleic acid | CCCCCCCC\C=C/CCCCCCCC(O)=O | Boiling temperature | 360 | [oC] | Wikipedia/Wikidata |
Diazomethane | N#[N+]-[C-] | Melting temperature | -145 | [oC] | Wikipedia/Wikidata |
Diazomethane | N#[N+]-[C-] | Boiling temperature | -23 | [oC] | Wikipedia/Wikidata |
Erythritol | OC[C@@H](O)[C@@H](O)CO | Melting temperature | 121 | [oC] | Wikipedia/Wikidata |
Erythritol | OC[C@@H](O)[C@@H](O)CO | Absolute molar magnetic susceptibility | 73.8 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Erythritol | OC[C@@H](O)[C@@H](O)CO | Density | 1.45 | [g/cm3] | Wikipedia/Wikidata |
Erythritol | OC[C@@H](O)[C@@H](O)CO | Boiling temperature | 329 | [oC] | Wikipedia/Wikidata |
Ninhydrin | O=C2c1ccccc1C(=O)C2(O)O | Melting temperature | 250 | [oC] | Wikipedia/Wikidata |
Ninhydrin | O=C2c1ccccc1C(=O)C2(O)O | Density | 0.862 | [g/cm3] | Wikipedia/Wikidata |
Parathion | S=P(Oc1ccc(cc1)[N+]([O-])=O)(OCC)OCC | Melting temperature | 6 | [oC] | Wikipedia/Wikidata |
2,5-Dimethoxy-4-methylamphetamine | null | Melting temperature | 61 | [oC] | Wikipedia/Wikidata |
AP5 | O=P(O)(O)CCC[C@@H](N)C(=O)O | Density | 1.529 | [g/cm3] | Wikipedia/Wikidata |
AP5 | O=P(O)(O)CCC[C@@H](N)C(=O)O | Boiling temperature | 482.1 | [oC] | Wikipedia/Wikidata |
Polybutylene terephthalate | null | Melting temperature | 223 | [oC] | Wikipedia/Wikidata |
Barium oxide | [Ba]=O | Melting temperature | 1,923 | [oC] | Wikipedia/Wikidata |
Barium oxide | [Ba]=O | Absolute molar magnetic susceptibility | 29.1 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Barium oxide | [Ba]=O | Density | 5.72 | [g/cm3] | Wikipedia/Wikidata |
Barium oxide | [Ba]=O | Boiling temperature | 2,000 | [oC] | Wikipedia/Wikidata |
Zinc chloride | Cl[Zn]Cl | Melting temperature | 290 | [oC] | Wikipedia/Wikidata |
Zinc chloride | Cl[Zn]Cl | Absolute molar magnetic susceptibility | 65 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Zinc chloride | Cl[Zn]Cl | Density | 2.907 | [g/cm3] | Wikipedia/Wikidata |
Zinc chloride | Cl[Zn]Cl | Boiling temperature | 732 | [oC] | Wikipedia/Wikidata |
Cadmium arsenide | [Cd+2].[Cd+2].[Cd+2].[AsH6-3].[AsH6-3] | Melting temperature | 716 | [oC] | Wikipedia/Wikidata |
Cadmium arsenide | [Cd+2].[Cd+2].[Cd+2].[AsH6-3].[AsH6-3] | Density | 3.031 | [g/cm3] | Wikipedia/Wikidata |
Diethyl ether | CCOCC | Viscosity | 0.224 | [mPas] | Wikipedia/Wikidata |
Diethyl ether | CCOCC | Refractive index | 1.353 | [-] | Wikipedia/Wikidata |
Diethyl ether | CCOCC | Melting temperature | -116.3 | [oC] | Wikipedia/Wikidata |
Diethyl ether | CCOCC | Absolute molar magnetic susceptibility | 55.1 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Diethyl ether | CCOCC | Molar Heat Capacity | 172.5 | [J/mol/K] | Wikipedia/Wikidata |
Diethyl ether | CCOCC | Dipole Moment | 1.15 | [debye] | Wikipedia/Wikidata |
Diethyl ether | CCOCC | Density | 0.7134 | [g/cm3] | Wikipedia/Wikidata |
Diethyl ether | CCOCC | Absolute standard enthalpy of formation | 271.2 | [kJ/mol] | Wikipedia/Wikidata |
Diethyl ether | CCOCC | Boiling temperature | 34.6 | [oC] | Wikipedia/Wikidata |
Lead(II) iodide | I[Pb]I | Melting temperature | 402 | [oC] | Wikipedia/Wikidata |
Lead(II) iodide | I[Pb]I | Absolute molar magnetic susceptibility | 126.5 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Lead(II) iodide | I[Pb]I | Density | 6.16 | [g/cm3] | Wikipedia/Wikidata |
Lead(II) iodide | I[Pb]I | Boiling temperature | 953 | [oC] | Wikipedia/Wikidata |
Lead(II) iodide | I[Pb]I | Band gap | 2.3 | [eV] | Wikipedia/Wikidata |
1,4-Butanediol | OCCCCO | Refractive index | 1.446 | [-] | Wikipedia/Wikidata |
1,4-Butanediol | OCCCCO | Melting temperature | 20.1 | [oC] | Wikipedia/Wikidata |
1,4-Butanediol | OCCCCO | Absolute molar magnetic susceptibility | 61.5 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
1,4-Butanediol | OCCCCO | Density | 1.0171 | [g/cm3] | Wikipedia/Wikidata |
1,4-Butanediol | OCCCCO | Boiling temperature | 235 | [oC] | Wikipedia/Wikidata |
Sodium sulfate | [Na+].[Na+].[O-]S([O-])(=O)=O | Refractive index | 1.468 | [-] | Wikipedia/Wikidata |
Sodium sulfate | [Na+].[Na+].[O-]S([O-])(=O)=O | Melting temperature | 884 | [oC] | Wikipedia/Wikidata |
Sodium sulfate | [Na+].[Na+].[O-]S([O-])(=O)=O | Absolute molar magnetic susceptibility | 52 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Sodium sulfate | [Na+].[Na+].[O-]S([O-])(=O)=O | Density | 2.664 | [g/cm3] | Wikipedia/Wikidata |
Sodium sulfate | [Na+].[Na+].[O-]S([O-])(=O)=O | Boiling temperature | 1,429 | [oC] | Wikipedia/Wikidata |
5-Hydroxytryptophan | O=C(O)[C@@H](N)Cc2c1cc(O)ccc1[nH]c2 | Density | 1.484 | [g/cm3] | Wikipedia/Wikidata |
5-Hydroxytryptophan | O=C(O)[C@@H](N)Cc2c1cc(O)ccc1[nH]c2 | Boiling temperature | 520.6 | [oC] | Wikipedia/Wikidata |
Perfluorooctanoic acid | FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | Boiling temperature | 189 | [oC] | Wikipedia/Wikidata |
Perfluorooctanesulfonic acid | FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | Boiling temperature | 133 | [oC] | Wikipedia/Wikidata |
Propene | C=CC | Viscosity | 8,340 | [mPas] | Wikipedia/Wikidata |
Propene | C=CC | Melting temperature | -185.2 | [oC] | Wikipedia/Wikidata |
Propene | C=CC | Absolute molar magnetic susceptibility | 31.5 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Propene | C=CC | Dipole Moment | 0.366 | [debye] | Wikipedia/Wikidata |
Propene | C=CC | Boiling temperature | -47.6 | [oC] | Wikipedia/Wikidata |
Fumaric acid | C(=C/C(=O)O)\C(=O)O | Melting temperature | 287 | [oC] | Wikipedia/Wikidata |
Fumaric acid | C(=C/C(=O)O)\C(=O)O | Absolute molar magnetic susceptibility | 49.11 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Fumaric acid | C(=C/C(=O)O)\C(=O)O | Density | 1.635 | [g/cm3] | Wikipedia/Wikidata |
Ergosterol | O[C@@H]4C/C3=C/C=C1\[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@H](C)C(C)C)C)C)[C@@]3(C)CC4 | Melting temperature | 160 | [oC] | Wikipedia/Wikidata |
Ergosterol | O[C@@H]4C/C3=C/C=C1\[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@H](C)C(C)C)C)C)[C@@]3(C)CC4 | Absolute molar magnetic susceptibility | 279.6 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Ergosterol | O[C@@H]4C/C3=C/C=C1\[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@H](C)C(C)C)C)C)[C@@]3(C)CC4 | Boiling temperature | 250 | [oC] | Wikipedia/Wikidata |
Xylose | C1[C@H]([C@@H]([C@H](C(O1)O)O)O)O | Absolute molar magnetic susceptibility | 84.8 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Xylose | C1[C@H]([C@@H]([C@H](C(O1)O)O)O)O | Density | 1.525 | [g/cm3] | Wikipedia/Wikidata |
Batrachotoxin | CC1=CNC(=C1C(=O)OC(C)C2=CC[C@@]34C2(C[C@H](C56C3=CC[C@H]7[C@@]5(CC[C@@](C7)(O6)O)C)O)CN(CCO4)C)C | Density | 1.304 | [g/cm3] | Wikipedia/Wikidata |
Methyl salicylate | O=C(OC)c1ccccc1O | Refractive index | 1.538 | [-] | Wikipedia/Wikidata |
Methyl salicylate | O=C(OC)c1ccccc1O | Melting temperature | -8.6 | [oC] | Wikipedia/Wikidata |
Methyl salicylate | O=C(OC)c1ccccc1O | Density | 1.174 | [g/cm3] | Wikipedia/Wikidata |