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 |
|---|---|---|---|---|---|
Methyl salicylate | O=C(OC)c1ccccc1O | Boiling temperature | 222 | [oC] | Wikipedia/Wikidata |
Cadmium sulfide | [S-2].[Cd+2] | Refractive index | 2.529 | [-] | Wikipedia/Wikidata |
Cadmium sulfide | [S-2].[Cd+2] | Melting temperature | 1,750 | [oC] | Wikipedia/Wikidata |
Cadmium sulfide | [S-2].[Cd+2] | Absolute molar magnetic susceptibility | 50 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Cadmium sulfide | [S-2].[Cd+2] | Density | 4.826 | [g/cm3] | Wikipedia/Wikidata |
Cadmium sulfide | [S-2].[Cd+2] | Boiling temperature | 980 | [oC] | Wikipedia/Wikidata |
Lead(II) sulfide | [Pb]=S | Refractive index | 3.91 | [-] | Wikipedia/Wikidata |
Lead(II) sulfide | [Pb]=S | Melting temperature | 1,118 | [oC] | Wikipedia/Wikidata |
Lead(II) sulfide | [Pb]=S | Absolute molar magnetic susceptibility | 84 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Lead(II) sulfide | [Pb]=S | Molar Heat Capacity | 46.02 | [J/mol/K] | Wikipedia/Wikidata |
Lead(II) sulfide | [Pb]=S | Absolute standard enthalpy of formation | 98.7 | [kJ/mol] | Wikipedia/Wikidata |
Lead(II) sulfide | [Pb]=S | Boiling temperature | 1,281 | [oC] | Wikipedia/Wikidata |
Inositol | [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)O)O | Density | 1.752 | [g/cm3] | Wikipedia/Wikidata |
Thymol | CC(C)c1ccc(C)cc1O | Density | 0.96 | [g/cm3] | Wikipedia/Wikidata |
Thymol | CC(C)c1ccc(C)cc1O | Boiling temperature | 232 | [oC] | Wikipedia/Wikidata |
Sodium triphosphate | null | Melting temperature | 622 | [oC] | Wikipedia/Wikidata |
Sodium triphosphate | null | Density | 2.52 | [g/cm3] | Wikipedia/Wikidata |
Sodium benzoate | [Na+].[O-]C(=O)c1ccccc1 | Melting temperature | 410 | [oC] | Wikipedia/Wikidata |
Sodium benzoate | [Na+].[O-]C(=O)c1ccccc1 | Density | 1.497 | [g/cm3] | Wikipedia/Wikidata |
Sodium amide | [NH2-].[Na+] | Melting temperature | 210 | [oC] | Wikipedia/Wikidata |
Sodium amide | [NH2-].[Na+] | Density | 1.39 | [g/cm3] | Wikipedia/Wikidata |
Sodium amide | [NH2-].[Na+] | Boiling temperature | 400 | [oC] | Wikipedia/Wikidata |
Potassium alum | [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+] | Refractive index | 1.4564 | [-] | Wikipedia/Wikidata |
Potassium alum | [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+] | Density | 1.725 | [g/cm3] | Wikipedia/Wikidata |
Potassium alum | [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+] | Boiling temperature | 200 | [oC] | Wikipedia/Wikidata |
Allantoin | O=C1NC(=O)NC1NC(=O)N | Melting temperature | 230 | [oC] | Wikipedia/Wikidata |
Allantoin | O=C1NC(=O)NC1NC(=O)N | Partition coefficient | -3.14 | [-] | Wikipedia/Wikidata |
Allantoin | O=C1NC(=O)NC1NC(=O)N | Density | 1.45 | [g/cm3] | Wikipedia/Wikidata |
Allantoin | O=C1NC(=O)NC1NC(=O)N | Boiling temperature | 478 | [oC] | Wikipedia/Wikidata |
Methylsulfonylmethane | [O-][S++]([O-])(C)C | Melting temperature | 109 | [oC] | Wikipedia/Wikidata |
Methylsulfonylmethane | [O-][S++]([O-])(C)C | Density | 1.45 | [g/cm3] | Wikipedia/Wikidata |
Methylsulfonylmethane | [O-][S++]([O-])(C)C | Boiling temperature | 248 | [oC] | Wikipedia/Wikidata |
2,4-Dinitrophenol | O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O | Melting temperature | 108 | [oC] | Wikipedia/Wikidata |
2,4-Dinitrophenol | O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O | Absolute molar magnetic susceptibility | 73.1 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
2,4-Dinitrophenol | O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O | Density | 1.683 | [g/cm3] | Wikipedia/Wikidata |
2,4-Dinitrophenol | O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O | Boiling temperature | 113 | [oC] | Wikipedia/Wikidata |
Pyroglutamic acid | O=C(O)[C@H]1NC(=O)CC1 | Melting temperature | 184 | [oC] | Wikipedia/Wikidata |
Pyroglutamic acid | O=C(O)[C@H]1NC(=O)CC1 | Partition coefficient | -0.89 | [-] | Wikipedia/Wikidata |
Ethion | S=P(SCSP(=S)(OCC)OCC)(OCC)OCC | Melting temperature | -12.2 | [oC] | Wikipedia/Wikidata |
Ethion | S=P(SCSP(=S)(OCC)OCC)(OCC)OCC | Density | 1.22 | [g/cm3] | Wikipedia/Wikidata |
Ethion | S=P(SCSP(=S)(OCC)OCC)(OCC)OCC | Boiling temperature | 150 | [oC] | Wikipedia/Wikidata |
Sodium metabisulfite | [O-]S(=O)S(=O)(=O)[O-].[Na+].[Na+] | Melting temperature | 170 | [oC] | Wikipedia/Wikidata |
Sodium metabisulfite | [O-]S(=O)S(=O)(=O)[O-].[Na+].[Na+] | Density | 1.48 | [g/cm3] | Wikipedia/Wikidata |
Benzo(a)pyrene | c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5 | Absolute molar magnetic susceptibility | 135.7 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Benzo(a)pyrene | c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5 | Density | 1.24 | [g/cm3] | Wikipedia/Wikidata |
Benzo(a)pyrene | c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5 | Boiling temperature | 495 | [oC] | Wikipedia/Wikidata |
Methylcholanthrene | CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1 | Melting temperature | 180 | [oC] | Wikipedia/Wikidata |
Methylcholanthrene | CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1 | Absolute molar magnetic susceptibility | 194 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Methylcholanthrene | CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1 | Density | 1.28 | [g/cm3] | Wikipedia/Wikidata |
Methylcholanthrene | CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1 | Boiling temperature | 280 | [oC] | Wikipedia/Wikidata |
Ceric ammonium nitrate | [Ce+4].O=[N+]([O-])[O-].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O.[NH4+].[NH4+] | Melting temperature | 107 | [oC] | Wikipedia/Wikidata |
Barium carbonate | [Ba+2].[O-]C([O-])=O | Refractive index | 1.676 | [-] | Wikipedia/Wikidata |
Barium carbonate | [Ba+2].[O-]C([O-])=O | Melting temperature | 811 | [oC] | Wikipedia/Wikidata |
Barium carbonate | [Ba+2].[O-]C([O-])=O | Absolute molar magnetic susceptibility | 58.9 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Barium carbonate | [Ba+2].[O-]C([O-])=O | Density | 4.286 | [g/cm3] | Wikipedia/Wikidata |
Barium carbonate | [Ba+2].[O-]C([O-])=O | Boiling temperature | 1,450 | [oC] | Wikipedia/Wikidata |
Magnesium fluoride | [Mg+2].[F-].[F-] | Refractive index | 1.37397 | [-] | Wikipedia/Wikidata |
Magnesium fluoride | [Mg+2].[F-].[F-] | Melting temperature | 1,263 | [oC] | Wikipedia/Wikidata |
Magnesium fluoride | [Mg+2].[F-].[F-] | Absolute molar magnetic susceptibility | 22.7 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Magnesium fluoride | [Mg+2].[F-].[F-] | Density | 3.148 | [g/cm3] | Wikipedia/Wikidata |
Magnesium fluoride | [Mg+2].[F-].[F-] | Boiling temperature | 2,260 | [oC] | Wikipedia/Wikidata |
Ethanolamine | C(CO)N | Melting temperature | 10.3 | [oC] | Wikipedia/Wikidata |
Ethanolamine | C(CO)N | Density | 1.0117 | [g/cm3] | Wikipedia/Wikidata |
Ethanolamine | C(CO)N | Boiling temperature | 170 | [oC] | Wikipedia/Wikidata |
Bisphenol A | Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C | Density | 1.2 | [g/cm3] | Wikipedia/Wikidata |
Bisphenol A | Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C | Boiling temperature | 220 | [oC] | Wikipedia/Wikidata |
Trehalose | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O1)O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO | Melting temperature | 203 | [oC] | Wikipedia/Wikidata |
Trehalose | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O1)O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO | Density | 1.58 | [g/cm3] | Wikipedia/Wikidata |
Potassium perchlorate | [K+].[O-]Cl(=O)(=O)=O | Refractive index | 1.4724 | [-] | Wikipedia/Wikidata |
Potassium perchlorate | [K+].[O-]Cl(=O)(=O)=O | Melting temperature | 610 | [oC] | Wikipedia/Wikidata |
Potassium perchlorate | [K+].[O-]Cl(=O)(=O)=O | Density | 2.5239 | [g/cm3] | Wikipedia/Wikidata |
Silver fulminate | [C-]#[N+][O-].[Ag+] | Density | 3.938 | [g/cm3] | Wikipedia/Wikidata |
Paraquat | C[n+]1ccc(cc1)c2cc[n+](cc2)C.[Cl-].[Cl-] | Density | 1.25 | [g/cm3] | Wikipedia/Wikidata |
Paraquat | C[n+]1ccc(cc1)c2cc[n+](cc2)C.[Cl-].[Cl-] | Boiling temperature | 300 | [oC] | Wikipedia/Wikidata |
Potassium sulfate | [K+].[K+].[O-]S([O-])(=O)=O | Refractive index | 1.495 | [-] | Wikipedia/Wikidata |
Potassium sulfate | [K+].[K+].[O-]S([O-])(=O)=O | Absolute molar magnetic susceptibility | 67 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Potassium sulfate | [K+].[K+].[O-]S([O-])(=O)=O | Boiling temperature | 1,689 | [oC] | Wikipedia/Wikidata |
1,3-Cyclohexadiene | C\1=C\C=C/CC/1 | Melting temperature | -98 | [oC] | Wikipedia/Wikidata |
1,3-Cyclohexadiene | C\1=C\C=C/CC/1 | Absolute molar magnetic susceptibility | 48.6 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
1,3-Cyclohexadiene | C\1=C\C=C/CC/1 | Density | 0.841 | [g/cm3] | Wikipedia/Wikidata |
1,3-Cyclohexadiene | C\1=C\C=C/CC/1 | Boiling temperature | 80 | [oC] | Wikipedia/Wikidata |
Samarium(II) iodide | I[Sm]I | Melting temperature | 520 | [oC] | Wikipedia/Wikidata |
Azobenzene | N(=N/c1ccccc1)\c2ccccc2 | Melting temperature | 67.88 | [oC] | Wikipedia/Wikidata |
Azobenzene | N(=N/c1ccccc1)\c2ccccc2 | Absolute molar magnetic susceptibility | 107 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Azobenzene | N(=N/c1ccccc1)\c2ccccc2 | Dipole Moment | 0 | [debye] | Wikipedia/Wikidata |
Azobenzene | N(=N/c1ccccc1)\c2ccccc2 | Boiling temperature | 300 | [oC] | Wikipedia/Wikidata |
Barium nitrate | [Ba+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O | Refractive index | 1.5659 | [-] | Wikipedia/Wikidata |
Barium nitrate | [Ba+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O | Melting temperature | 592 | [oC] | Wikipedia/Wikidata |
Barium nitrate | [Ba+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O | Absolute molar magnetic susceptibility | 66.5 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Barium nitrate | [Ba+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O | Density | 3.24 | [g/cm3] | Wikipedia/Wikidata |
Arsenic trisulfide | S1[As]3S[As]2S[As](S[As]1S2)S3 | Melting temperature | 310 | [oC] | Wikipedia/Wikidata |
Arsenic trisulfide | S1[As]3S[As]2S[As](S[As]1S2)S3 | Absolute molar magnetic susceptibility | 70 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Arsenic trisulfide | S1[As]3S[As]2S[As](S[As]1S2)S3 | Density | 3.43 | [g/cm3] | Wikipedia/Wikidata |
Arsenic trisulfide | S1[As]3S[As]2S[As](S[As]1S2)S3 | Boiling temperature | 707 | [oC] | Wikipedia/Wikidata |
Coumarin | O=C1C=Cc2ccccc2O1 | Vapor pressure | 0.13 | [kPa] | Wikipedia/Wikidata |
Coumarin | O=C1C=Cc2ccccc2O1 | Melting temperature | 71 | [oC] | Wikipedia/Wikidata |
Coumarin | O=C1C=Cc2ccccc2O1 | Partition coefficient | 1.39 | [-] | Wikipedia/Wikidata |
Coumarin | O=C1C=Cc2ccccc2O1 | Density | 0.935 | [g/cm3] | Wikipedia/Wikidata |
Coumarin | O=C1C=Cc2ccccc2O1 | Boiling temperature | 301.71 | [oC] | Wikipedia/Wikidata |
Imidazole | c1cnc[nH]1 | Dipole Moment | 3.61 | [debye] | Wikipedia/Wikidata |