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 |
|---|---|---|---|---|---|
Uridine | O=C1NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O | Partition coefficient | -1.98 | [-] | Wikipedia/Wikidata |
Uridine | O=C1NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O | Density | 0.993 | [g/cm3] | Wikipedia/Wikidata |
Acetaldehyde | O=CC | Refractive index | 1.3316 | [-] | Wikipedia/Wikidata |
Acetaldehyde | O=CC | Melting temperature | -123.37 | [oC] | Wikipedia/Wikidata |
Acetaldehyde | O=CC | Partition coefficient | -0.34 | [-] | Wikipedia/Wikidata |
Acetaldehyde | O=CC | Dipole Moment | 2.7 | [debye] | Wikipedia/Wikidata |
Acetaldehyde | O=CC | Absolute standard enthalpy of formation | 166 | [kJ/mol] | Wikipedia/Wikidata |
Acetaldehyde | O=CC | Boiling temperature | 20.2 | [oC] | Wikipedia/Wikidata |
Adenosine monophosphate | O=P(O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O | Density | 2.32 | [g/cm3] | Wikipedia/Wikidata |
Adenosine monophosphate | O=P(O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O | Boiling temperature | 798.5 | [oC] | Wikipedia/Wikidata |
Ornithine | O=C(O)[C@@H](N)CCCN | Melting temperature | 140 | [oC] | Wikipedia/Wikidata |
Ammonium nitrate | [O-][N+]([O-])=O.[NH4+] | Melting temperature | 169.6 | [oC] | Wikipedia/Wikidata |
Ammonium nitrate | [O-][N+]([O-])=O.[NH4+] | Absolute molar magnetic susceptibility | 33.6 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Ammonium nitrate | [O-][N+]([O-])=O.[NH4+] | Density | 1.725 | [g/cm3] | Wikipedia/Wikidata |
Ammonium nitrate | [O-][N+]([O-])=O.[NH4+] | Boiling temperature | 210 | [oC] | Wikipedia/Wikidata |
Isoprene | CC(=C)C=C | Melting temperature | -143.95 | [oC] | Wikipedia/Wikidata |
Isoprene | CC(=C)C=C | Density | 0.681 | [g/cm3] | Wikipedia/Wikidata |
Isoprene | CC(=C)C=C | Boiling temperature | 34.067 | [oC] | Wikipedia/Wikidata |
Naphthalene | c1ccc2ccccc2c1 | Melting temperature | 78.2 | [oC] | Wikipedia/Wikidata |
Naphthalene | c1ccc2ccccc2c1 | Absolute molar magnetic susceptibility | 91.9 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Naphthalene | c1ccc2ccccc2c1 | Boiling temperature | 217.97 | [oC] | Wikipedia/Wikidata |
Aluminium oxide | [Al+3].[Al+3].[O-2].[O-2].[O-2] | Refractive index | 1.76 | [-] | Wikipedia/Wikidata |
Aluminium oxide | [Al+3].[Al+3].[O-2].[O-2].[O-2] | Melting temperature | 2,072 | [oC] | Wikipedia/Wikidata |
Aluminium oxide | [Al+3].[Al+3].[O-2].[O-2].[O-2] | Absolute molar magnetic susceptibility | 37 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Aluminium oxide | [Al+3].[Al+3].[O-2].[O-2].[O-2] | Density | 3.987 | [g/cm3] | Wikipedia/Wikidata |
Aluminium oxide | [Al+3].[Al+3].[O-2].[O-2].[O-2] | Boiling temperature | 2,977 | [oC] | Wikipedia/Wikidata |
Ethylene glycol | C(CO)O | Melting temperature | -12.9 | [oC] | Wikipedia/Wikidata |
Ethylene glycol | C(CO)O | Density | 1.1132 | [g/cm3] | Wikipedia/Wikidata |
Ethylene glycol | C(CO)O | Boiling temperature | 197.3 | [oC] | Wikipedia/Wikidata |
Alpha-Linolenic acid | O=C(O)CCCCCCC\C=C/C\C=C/C\C=C/CC | Density | 0.9164 | [g/cm3] | Wikipedia/Wikidata |
Zirconium dioxide | null | Refractive index | 2.13 | [-] | Wikipedia/Wikidata |
Zirconium dioxide | null | Melting temperature | 2,715 | [oC] | Wikipedia/Wikidata |
Zirconium dioxide | null | Density | 5.68 | [g/cm3] | Wikipedia/Wikidata |
Zirconium dioxide | null | Absolute standard enthalpy of formation | 1,080 | [kJ/mol] | Wikipedia/Wikidata |
Zirconium dioxide | null | Boiling temperature | 4,300 | [oC] | Wikipedia/Wikidata |
Sodium bicarbonate | [Na+].OC([O-])=O | Refractive index | 1.583 | [-] | Wikipedia/Wikidata |
Sodium bicarbonate | [Na+].OC([O-])=O | Partition coefficient | -0.82 | [-] | Wikipedia/Wikidata |
Sodium carbonate | [Na+].[Na+].[O-]C([O-])=O | Melting temperature | 851 | [oC] | Wikipedia/Wikidata |
Butanone | O=C(C)CC | Viscosity | 0.43 | [mPas] | Wikipedia/Wikidata |
Butanone | O=C(C)CC | Refractive index | 1.3788 | [-] | Wikipedia/Wikidata |
Butanone | O=C(C)CC | Melting temperature | -86 | [oC] | Wikipedia/Wikidata |
Butanone | O=C(C)CC | Absolute molar magnetic susceptibility | 45.58 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Butanone | O=C(C)CC | Dipole Moment | 2.76 | [debye] | Wikipedia/Wikidata |
Butanone | O=C(C)CC | Density | 0.805 | [g/cm3] | Wikipedia/Wikidata |
Butanone | O=C(C)CC | Boiling temperature | 79.64 | [oC] | Wikipedia/Wikidata |
Magnesium oxide | null | Refractive index | 1.7355 | [-] | Wikipedia/Wikidata |
Magnesium oxide | null | Melting temperature | 2,852 | [oC] | Wikipedia/Wikidata |
Magnesium oxide | null | Heat Capacity | 5.15 | [J/g/K] | Wikipedia/Wikidata |
Magnesium oxide | null | Absolute standard enthalpy of formation | 5.2 | [kJ/mol] | Wikipedia/Wikidata |
Magnesium oxide | null | Boiling temperature | 3,600 | [oC] | Wikipedia/Wikidata |
Cantharidin | O=C2OC([C@@]1(C)[C@@H]3CC[C@@H](O3)[C@]12C)=O | Melting temperature | 212 | [oC] | Wikipedia/Wikidata |
Cantharidin | O=C2OC([C@@]1(C)[C@@H]3CC[C@@H](O3)[C@]12C)=O | Density | 1.41 | [g/cm3] | Wikipedia/Wikidata |
Polystyrene | null | Melting temperature | 240 | [oC] | Wikipedia/Wikidata |
Polystyrene | null | Density | 0.96 | [g/cm3] | Wikipedia/Wikidata |
Styrene | c1ccccc1C=C | Viscosity | 0.762 | [mPas] | Wikipedia/Wikidata |
Styrene | c1ccccc1C=C | Refractive index | 1.5469 | [-] | Wikipedia/Wikidata |
Styrene | c1ccccc1C=C | Melting temperature | -30 | [oC] | Wikipedia/Wikidata |
Styrene | c1ccccc1C=C | Absolute molar magnetic susceptibility | 68.2 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Styrene | c1ccccc1C=C | Dipole Moment | 0.13 | [debye] | Wikipedia/Wikidata |
Styrene | c1ccccc1C=C | Density | 0.909 | [g/cm3] | Wikipedia/Wikidata |
Styrene | c1ccccc1C=C | Boiling temperature | 145 | [oC] | Wikipedia/Wikidata |
Thujone | O=C1[C@H](C)[C@@H]2[C@](C(C)C)(C1)C2 | Density | 0.92 | [g/cm3] | Wikipedia/Wikidata |
Thujone | O=C1[C@H](C)[C@@H]2[C@](C(C)C)(C1)C2 | Boiling temperature | 201 | [oC] | Wikipedia/Wikidata |
Strychnine | O=C7N2c1ccccc1[C@@]64[C@@H]2[C@@H]3[C@@H](OC/C=C5\[C@@H]3C[C@@H]6N(CC4)C5)C7 | Melting temperature | 270 | [oC] | Wikipedia/Wikidata |
Strychnine | O=C7N2c1ccccc1[C@@]64[C@@H]2[C@@H]3[C@@H](OC/C=C5\[C@@H]3C[C@@H]6N(CC4)C5)C7 | Density | 1.36 | [g/cm3] | Wikipedia/Wikidata |
Strychnine | O=C7N2c1ccccc1[C@@]64[C@@H]2[C@@H]3[C@@H](OC/C=C5\[C@@H]3C[C@@H]6N(CC4)C5)C7 | Boiling temperature | 285 | [oC] | Wikipedia/Wikidata |
Pyrrole | N1C=CC=C1 | Viscosity | 1.225 | [mPas] | Wikipedia/Wikidata |
Pyrrole | N1C=CC=C1 | Vapor pressure | 0.933 | [kPa] | Wikipedia/Wikidata |
Pyrrole | N1C=CC=C1 | Melting temperature | -23 | [oC] | Wikipedia/Wikidata |
Pyrrole | N1C=CC=C1 | Absolute molar magnetic susceptibility | 47.6 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Pyrrole | N1C=CC=C1 | Molar Heat Capacity | 1.903 | [J/mol/K] | Wikipedia/Wikidata |
Pyrrole | N1C=CC=C1 | Density | 0.967 | [g/cm3] | Wikipedia/Wikidata |
Pyrrole | N1C=CC=C1 | Absolute standard enthalpy of formation | 108.2 | [kJ/mol] | Wikipedia/Wikidata |
Pyrrole | N1C=CC=C1 | Boiling temperature | 129 | [oC] | Wikipedia/Wikidata |
Dinitrogen tetroxide | [O-][N+](=O)[N+]([O-])=O | Refractive index | 1.00112 | [-] | Wikipedia/Wikidata |
Dinitrogen tetroxide | [O-][N+](=O)[N+]([O-])=O | Melting temperature | -11.2 | [oC] | Wikipedia/Wikidata |
Dinitrogen tetroxide | [O-][N+](=O)[N+]([O-])=O | Absolute molar magnetic susceptibility | 23 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Dinitrogen tetroxide | [O-][N+](=O)[N+]([O-])=O | Density | 1.44246 | [g/cm3] | Wikipedia/Wikidata |
Dinitrogen tetroxide | [O-][N+](=O)[N+]([O-])=O | Boiling temperature | 21.69 | [oC] | Wikipedia/Wikidata |
Silane | [SiH4] | Melting temperature | -185 | [oC] | Wikipedia/Wikidata |
Silane | [SiH4] | Density | 1.342 | [g/cm3] | Wikipedia/Wikidata |
Silane | [SiH4] | Boiling temperature | -112 | [oC] | Wikipedia/Wikidata |
Glutaraldehyde | O=CCCCC=O | Melting temperature | -14 | [oC] | Wikipedia/Wikidata |
Glutaraldehyde | O=CCCCC=O | Density | 1.06 | [g/cm3] | Wikipedia/Wikidata |
Glutaraldehyde | O=CCCCC=O | Boiling temperature | 187 | [oC] | Wikipedia/Wikidata |
Magnesium hydroxide | [Mg+2].[OH-].[OH-] | Refractive index | 1.559 | [-] | Wikipedia/Wikidata |
Magnesium hydroxide | [Mg+2].[OH-].[OH-] | Melting temperature | 350 | [oC] | Wikipedia/Wikidata |
Magnesium hydroxide | [Mg+2].[OH-].[OH-] | Absolute molar magnetic susceptibility | 22.1 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Magnesium hydroxide | [Mg+2].[OH-].[OH-] | Density | 2.3446 | [g/cm3] | Wikipedia/Wikidata |
Lead styphnate | c1c(c(c(c(c1[N+](=O)[O-])[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].[Pb+2] | Density | 3.06 | [g/cm3] | Wikipedia/Wikidata |
VX (nerve agent) | CCOP(C)(=O)SCCN(C(C)C)C(C)C | Vapor pressure | 0.00009 | [kPa] | Wikipedia/Wikidata |
VX (nerve agent) | CCOP(C)(=O)SCCN(C(C)C)C(C)C | Melting temperature | -51 | [oC] | Wikipedia/Wikidata |
VX (nerve agent) | CCOP(C)(=O)SCCN(C(C)C)C(C)C | Partition coefficient | 2.047 | [-] | Wikipedia/Wikidata |
VX (nerve agent) | CCOP(C)(=O)SCCN(C(C)C)C(C)C | Density | 1.0083 | [g/cm3] | Wikipedia/Wikidata |
VX (nerve agent) | CCOP(C)(=O)SCCN(C(C)C)C(C)C | Boiling temperature | 300 | [oC] | Wikipedia/Wikidata |
Diacetylene | C#CC#C | Boiling temperature | 10 | [oC] | Wikipedia/Wikidata |
Red fuming nitric acid | null | Boiling temperature | 120.5 | [oC] | Wikipedia/Wikidata |
Mannose | null | Absolute molar magnetic susceptibility | 102.9 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Iron(III) oxide | O1[Fe]2O[Fe]1O2 | Absolute molar magnetic susceptibility | 3,586 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Quinoline Yellow WS | [Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(nc12)C4C(=O)c3ccccc3C4=O)S([O-])(=O)=O | Melting temperature | 150 | [oC] | Wikipedia/Wikidata |