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 |
|---|---|---|---|---|---|
Bromotrifluoromethane | BrC(F)(F)F | Melting temperature | -167.78 | [oC] | Wikipedia/Wikidata |
Bromotrifluoromethane | BrC(F)(F)F | Partition coefficient | 1.86 | [-] | Wikipedia/Wikidata |
Bromotrifluoromethane | BrC(F)(F)F | Density | 1.538 | [g/cm3] | Wikipedia/Wikidata |
Bromotrifluoromethane | BrC(F)(F)F | Boiling temperature | -57.75 | [oC] | Wikipedia/Wikidata |
Molybdenum disulfide | S=[Mo]=S | Melting temperature | 2,375 | [oC] | Wikipedia/Wikidata |
Hydrofluoric acid | F | Density | 1.15 | [g/cm3] | Wikipedia/Wikidata |
Aniline | Nc1ccccc1 | Melting temperature | -6.3 | [oC] | Wikipedia/Wikidata |
Aniline | Nc1ccccc1 | Density | 1.0297 | [g/cm3] | Wikipedia/Wikidata |
Aniline | Nc1ccccc1 | Boiling temperature | 184.13 | [oC] | Wikipedia/Wikidata |
Chloroethane | ClCC | Melting temperature | -138.7 | [oC] | Wikipedia/Wikidata |
Chloroethane | ClCC | Density | 0.8898 | [g/cm3] | Wikipedia/Wikidata |
Chloroethane | ClCC | Boiling temperature | 12.27 | [oC] | Wikipedia/Wikidata |
Vinyl chloride | ClC=C | Vapor pressure | 344 | [kPa] | Wikipedia/Wikidata |
Vinyl chloride | ClC=C | Melting temperature | -153.8 | [oC] | Wikipedia/Wikidata |
Vinyl chloride | ClC=C | Absolute molar magnetic susceptibility | 35.9 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Vinyl chloride | ClC=C | Heat Capacity | 0.8592 | [J/g/K] | Wikipedia/Wikidata |
Vinyl chloride | ClC=C | Density | 0.911 | [g/cm3] | Wikipedia/Wikidata |
Vinyl chloride | ClC=C | Absolute standard enthalpy of formation | 94.12 | [kJ/mol] | Wikipedia/Wikidata |
Vinyl chloride | ClC=C | Boiling temperature | -13.4 | [oC] | Wikipedia/Wikidata |
Potassium chlorate | [K+].[O-]Cl(=O)=O | Refractive index | 1.40835 | [-] | Wikipedia/Wikidata |
Potassium chlorate | [K+].[O-]Cl(=O)=O | Melting temperature | 356 | [oC] | Wikipedia/Wikidata |
Potassium chlorate | [K+].[O-]Cl(=O)=O | Absolute molar magnetic susceptibility | 42.8 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Potassium chlorate | [K+].[O-]Cl(=O)=O | Density | 2.32 | [g/cm3] | Wikipedia/Wikidata |
Potassium chlorate | [K+].[O-]Cl(=O)=O | Boiling temperature | 400 | [oC] | Wikipedia/Wikidata |
Trichloroethylene | Cl\C=C(/Cl)Cl | Refractive index | 1.4777 | [-] | Wikipedia/Wikidata |
Trichloroethylene | Cl\C=C(/Cl)Cl | Melting temperature | -84.8 | [oC] | Wikipedia/Wikidata |
Trichloroethylene | Cl\C=C(/Cl)Cl | Absolute molar magnetic susceptibility | 65.8 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Trichloroethylene | Cl\C=C(/Cl)Cl | Density | 1.46 | [g/cm3] | Wikipedia/Wikidata |
Trichloroethylene | Cl\C=C(/Cl)Cl | Boiling temperature | 87.2 | [oC] | Wikipedia/Wikidata |
Manganese dioxide | O=[Mn]=O | Melting temperature | 535 | [oC] | Wikipedia/Wikidata |
Manganese dioxide | O=[Mn]=O | Absolute molar magnetic susceptibility | 2,280 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Manganese dioxide | O=[Mn]=O | Molar Heat Capacity | 54.1 | [J/mol/K] | Wikipedia/Wikidata |
Manganese dioxide | O=[Mn]=O | Density | 5.026 | [g/cm3] | Wikipedia/Wikidata |
Manganese dioxide | O=[Mn]=O | Absolute standard enthalpy of formation | 520 | [kJ/mol] | Wikipedia/Wikidata |
Trisodium phosphate | [O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+] | Melting temperature | 1,583 | [oC] | Wikipedia/Wikidata |
Trisodium phosphate | [O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+] | Boiling temperature | 100 | [oC] | Wikipedia/Wikidata |
Allicin | O=S(SC\C=C)C\C=C | Melting temperature | 25 | [oC] | Wikipedia/Wikidata |
Allicin | O=S(SC\C=C)C\C=C | Density | 1.112 | [g/cm3] | Wikipedia/Wikidata |
Quinoline | n1cccc2ccccc12 | Melting temperature | -15 | [oC] | Wikipedia/Wikidata |
Quinoline | n1cccc2ccccc12 | Absolute molar magnetic susceptibility | 86 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Quinoline | n1cccc2ccccc12 | Density | 1.093 | [g/cm3] | Wikipedia/Wikidata |
Quinoline | n1cccc2ccccc12 | Absolute standard enthalpy of formation | 174.9 | [kJ/mol] | Wikipedia/Wikidata |
Quinoline | n1cccc2ccccc12 | Boiling temperature | 237 | [oC] | Wikipedia/Wikidata |
Propionic acid | CCC(=O)O | Melting temperature | -20.5 | [oC] | Wikipedia/Wikidata |
Propionic acid | CCC(=O)O | Absolute molar magnetic susceptibility | 43.5 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Propionic acid | CCC(=O)O | Boiling temperature | 141.15 | [oC] | Wikipedia/Wikidata |
Piperonyl butoxide | CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2 | Density | 1.05 | [g/cm3] | Wikipedia/Wikidata |
Piperonyl butoxide | CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2 | Boiling temperature | 180 | [oC] | Wikipedia/Wikidata |
Menthol | null | Density | 0.89 | [g/cm3] | Wikipedia/Wikidata |
Menthol | null | Boiling temperature | 214.6 | [oC] | Wikipedia/Wikidata |
Curcumin | O=C(\C=C\c1ccc(O)c(OC)c1)CC(=O)\C=C\c2cc(OC)c(O)cc2 | Melting temperature | 183 | [oC] | Wikipedia/Wikidata |
Chromic acid | O[Cr](O)(=O)=O | Melting temperature | 197 | [oC] | Wikipedia/Wikidata |
Chromic acid | O[Cr](O)(=O)=O | Density | 1.201 | [g/cm3] | Wikipedia/Wikidata |
Chromic acid | O[Cr](O)(=O)=O | Boiling temperature | 250 | [oC] | Wikipedia/Wikidata |
Stearic acid | CCCCCCCCCCCCCCCCCC(=O)O | Melting temperature | 69.3 | [oC] | Wikipedia/Wikidata |
Stearic acid | CCCCCCCCCCCCCCCCCC(=O)O | Absolute molar magnetic susceptibility | 220.8 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Stearic acid | CCCCCCCCCCCCCCCCCC(=O)O | Boiling temperature | 361 | [oC] | Wikipedia/Wikidata |
Ethyl carbamate | CCOC(N)=O | Vapor pressure | 1.3 | [kPa] | Wikipedia/Wikidata |
Ethyl carbamate | CCOC(N)=O | Partition coefficient | -0.19 | [-] | Wikipedia/Wikidata |
Ethyl carbamate | CCOC(N)=O | Dipole Moment | 0.520602 | [debye] | Wikipedia/Wikidata |
Ethyl carbamate | CCOC(N)=O | Density | 1.056 | [g/cm3] | Wikipedia/Wikidata |
Ethyl carbamate | CCOC(N)=O | Boiling temperature | 182 | [oC] | Wikipedia/Wikidata |
Sodium stearoyl lactylate | O=C(C(C)OC(CCCCCCCCCCCCCCCCC)=O)OC(C)C([O-])=O.[Na+] | Melting temperature | 49 | [oC] | Wikipedia/Wikidata |
DEET | O=C(c1cc(ccc1)C)N(CC)CC | Melting temperature | -33 | [oC] | Wikipedia/Wikidata |
DEET | O=C(c1cc(ccc1)C)N(CC)CC | Density | 0.998 | [g/cm3] | Wikipedia/Wikidata |
DEET | O=C(c1cc(ccc1)C)N(CC)CC | Boiling temperature | 288 | [oC] | Wikipedia/Wikidata |
Phthalic anhydride | O=c1oc(=O)c2ccccc12 | Melting temperature | 131.6 | [oC] | Wikipedia/Wikidata |
Phthalic anhydride | O=c1oc(=O)c2ccccc12 | Absolute molar magnetic susceptibility | 67.31 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Phthalic anhydride | O=c1oc(=O)c2ccccc12 | Boiling temperature | 295 | [oC] | Wikipedia/Wikidata |
Calcium chloride | [Ca+2].[Cl-].[Cl-] | Refractive index | 1.52 | [-] | Wikipedia/Wikidata |
Calcium chloride | [Ca+2].[Cl-].[Cl-] | Boiling temperature | 1,935 | [oC] | Wikipedia/Wikidata |
Nicotinamide adenine dinucleotide | O=C(N)c1ccc[n+](c1)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)COP([O-])(=O)OP(=O)([O-])OC[C@H]5O[C@@H](n4cnc3c(ncnc34)N)[C@H](O)[C@@H]5O | Melting temperature | 160 | [oC] | Wikipedia/Wikidata |
Safrole | C=CCc1ccc2OCOc2c1 | Melting temperature | 11 | [oC] | Wikipedia/Wikidata |
Safrole | C=CCc1ccc2OCOc2c1 | Absolute molar magnetic susceptibility | 97.5 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Safrole | C=CCc1ccc2OCOc2c1 | Density | 1.096 | [g/cm3] | Wikipedia/Wikidata |
Safrole | C=CCc1ccc2OCOc2c1 | Boiling temperature | 232 | [oC] | Wikipedia/Wikidata |
Uranium hexafluoride | F[U](F)(F)(F)(F)F | Melting temperature | 64.052 | [oC] | Wikipedia/Wikidata |
Uranium hexafluoride | F[U](F)(F)(F)(F)F | Dipole Moment | 0 | [debye] | Wikipedia/Wikidata |
Uranium hexafluoride | F[U](F)(F)(F)(F)F | Density | 5.09 | [g/cm3] | Wikipedia/Wikidata |
Uranium hexafluoride | F[U](F)(F)(F)(F)F | Boiling temperature | 56.5 | [oC] | Wikipedia/Wikidata |
Cyclopropane | C1CC1 | Melting temperature | -128 | [oC] | Wikipedia/Wikidata |
Cyclopropane | C1CC1 | Absolute molar magnetic susceptibility | 39.9 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Cyclopropane | C1CC1 | Density | 1.879 | [g/cm3] | Wikipedia/Wikidata |
Cyclopropane | C1CC1 | Boiling temperature | -33 | [oC] | Wikipedia/Wikidata |
Calcium hydroxide | [Ca+2].[OH-].[OH-] | Refractive index | 1.574 | [-] | Wikipedia/Wikidata |
Calcium hydroxide | [Ca+2].[OH-].[OH-] | Melting temperature | 580 | [oC] | Wikipedia/Wikidata |
Calcium hydroxide | [Ca+2].[OH-].[OH-] | Absolute molar magnetic susceptibility | 22 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Calcium hydroxide | [Ca+2].[OH-].[OH-] | Density | 2.211 | [g/cm3] | Wikipedia/Wikidata |
Nonoxynol-9 | CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1 | Partition coefficient | 4.02 | [-] | Wikipedia/Wikidata |
Histamine | NCCc1c[nH]cn1 | Melting temperature | 83.5 | [oC] | Wikipedia/Wikidata |
Histamine | NCCc1c[nH]cn1 | Boiling temperature | 209.5 | [oC] | Wikipedia/Wikidata |
Hexamethylenetetramine | C1N2CN3CN1CN(C2)C3 | Melting temperature | 280 | [oC] | Wikipedia/Wikidata |
Hexamethylenetetramine | C1N2CN3CN1CN(C2)C3 | Density | 1.33 | [g/cm3] | Wikipedia/Wikidata |
Abietic acid | O=C(O)[C@]3([C@@H]2C/C=C1/C=C(\CC[C@@H]1[C@@]2(C)CCC3)C(C)C)C | Density | 1.06 | [g/cm3] | Wikipedia/Wikidata |
Ammonium bicarbonate | [O-]C(=O)O.[NH4+] | Melting temperature | 41.9 | [oC] | Wikipedia/Wikidata |
Ammonium bicarbonate | [O-]C(=O)O.[NH4+] | Density | 1.586 | [g/cm3] | Wikipedia/Wikidata |
Sodium nitrite | N(=O)[O-].[Na+] | Refractive index | 1.65 | [-] | Wikipedia/Wikidata |
Sodium nitrite | N(=O)[O-].[Na+] | Melting temperature | 271 | [oC] | Wikipedia/Wikidata |
Sodium nitrite | N(=O)[O-].[Na+] | Absolute molar magnetic susceptibility | 14.5 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Sodium nitrite | N(=O)[O-].[Na+] | Density | 2.168 | [g/cm3] | Wikipedia/Wikidata |