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 |
|---|---|---|---|---|---|
Petroleum ether | null | Viscosity | 0.46 | [mPas] | Wikipedia/Wikidata |
Petroleum ether | null | Vapor pressure | 31 | [kPa] | Wikipedia/Wikidata |
Petroleum ether | null | Refractive index | 1.37 | [-] | Wikipedia/Wikidata |
Petroleum ether | null | Melting temperature | -73 | [oC] | Wikipedia/Wikidata |
Petroleum ether | null | Density | 0.653 | [g/cm3] | Wikipedia/Wikidata |
Aluminium chloride | Cl[Al](Cl)Cl | Melting temperature | 192.6 | [oC] | Wikipedia/Wikidata |
Aluminium chloride | Cl[Al](Cl)Cl | Absolute standard enthalpy of formation | 5.5 | [kJ/mol] | Wikipedia/Wikidata |
Aluminium chloride | Cl[Al](Cl)Cl | Boiling temperature | 180 | [oC] | Wikipedia/Wikidata |
Dibenzo-1,4-dioxin | O1c3c(Oc2c1cccc2)cccc3 | Melting temperature | 122 | [oC] | Wikipedia/Wikidata |
Dibenzo-1,4-dioxin | O1c3c(Oc2c1cccc2)cccc3 | Boiling temperature | 283.5 | [oC] | Wikipedia/Wikidata |
Eugenol | Oc1ccc(cc1OC)CC=C | Melting temperature | -7.5 | [oC] | Wikipedia/Wikidata |
Eugenol | Oc1ccc(cc1OC)CC=C | Density | 1.06 | [g/cm3] | Wikipedia/Wikidata |
Eugenol | Oc1ccc(cc1OC)CC=C | Boiling temperature | 254 | [oC] | Wikipedia/Wikidata |
Pyrene | c1cc2cccc3ccc4cccc1c4c32 | Absolute molar magnetic susceptibility | 147.9 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Pyrene | c1cc2cccc3ccc4cccc1c4c32 | Density | 1.271 | [g/cm3] | Wikipedia/Wikidata |
Pyrene | c1cc2cccc3ccc4cccc1c4c32 | Boiling temperature | 404 | [oC] | Wikipedia/Wikidata |
Sodium thiosulfate | [Na+].[Na+].[O-]S([O-])(=O)=S | Refractive index | 1.489 | [-] | Wikipedia/Wikidata |
Sodium thiosulfate | [Na+].[Na+].[O-]S([O-])(=O)=S | Melting temperature | 48.3 | [oC] | Wikipedia/Wikidata |
Sodium thiosulfate | [Na+].[Na+].[O-]S([O-])(=O)=S | Density | 1.667 | [g/cm3] | Wikipedia/Wikidata |
Sodium thiosulfate | [Na+].[Na+].[O-]S([O-])(=O)=S | Boiling temperature | 100 | [oC] | Wikipedia/Wikidata |
Linalool | CC(O)(C=C)CCC=C(C)C | Melting temperature | -20 | [oC] | Wikipedia/Wikidata |
Linalool | CC(O)(C=C)CCC=C(C)C | Density | 0.858 | [g/cm3] | Wikipedia/Wikidata |
Linalool | CC(O)(C=C)CCC=C(C)C | Boiling temperature | 198 | [oC] | Wikipedia/Wikidata |
Manganese(II) chloride | Cl[Mn]Cl | Melting temperature | 654 | [oC] | Wikipedia/Wikidata |
Manganese(II) chloride | Cl[Mn]Cl | Absolute molar magnetic susceptibility | 14,350 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Manganese(II) chloride | Cl[Mn]Cl | Density | 2.977 | [g/cm3] | Wikipedia/Wikidata |
Manganese(II) chloride | Cl[Mn]Cl | Boiling temperature | 1,225 | [oC] | Wikipedia/Wikidata |
Pyrazine | c1cnccn1 | Melting temperature | 52 | [oC] | Wikipedia/Wikidata |
Pyrazine | c1cnccn1 | Absolute molar magnetic susceptibility | 37.6 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Pyrazine | c1cnccn1 | Density | 1.031 | [g/cm3] | Wikipedia/Wikidata |
Pyrazine | c1cnccn1 | Boiling temperature | 115 | [oC] | Wikipedia/Wikidata |
Cobalt(II) chloride | Cl[Co]Cl | Melting temperature | 726 | [oC] | Wikipedia/Wikidata |
Cobalt(II) chloride | Cl[Co]Cl | Absolute molar magnetic susceptibility | 12,660 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Cobalt(II) chloride | Cl[Co]Cl | Density | 3.356 | [g/cm3] | Wikipedia/Wikidata |
Cobalt(II) chloride | Cl[Co]Cl | Boiling temperature | 1,049 | [oC] | Wikipedia/Wikidata |
Polyglycolide | *C(=O)CO* | Density | 1.53 | [g/cm3] | Wikipedia/Wikidata |
Acetic anhydride | O=C(OC(=O)C)C | Refractive index | 1.3901 | [-] | Wikipedia/Wikidata |
Acetic anhydride | O=C(OC(=O)C)C | Melting temperature | -73.1 | [oC] | Wikipedia/Wikidata |
Acetic anhydride | O=C(OC(=O)C)C | Absolute molar magnetic susceptibility | 52.8 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Acetic anhydride | O=C(OC(=O)C)C | Density | 1.082 | [g/cm3] | Wikipedia/Wikidata |
Acetic anhydride | O=C(OC(=O)C)C | Boiling temperature | 139.8 | [oC] | Wikipedia/Wikidata |
Strontium chloride | [Sr+2].[Cl-].[Cl-] | Refractive index | 1.65 | [-] | Wikipedia/Wikidata |
Strontium chloride | [Sr+2].[Cl-].[Cl-] | Melting temperature | 874 | [oC] | Wikipedia/Wikidata |
Strontium chloride | [Sr+2].[Cl-].[Cl-] | Absolute molar magnetic susceptibility | 63 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Strontium chloride | [Sr+2].[Cl-].[Cl-] | Density | 3.052 | [g/cm3] | Wikipedia/Wikidata |
Strontium chloride | [Sr+2].[Cl-].[Cl-] | Boiling temperature | 1,250 | [oC] | Wikipedia/Wikidata |
Terephthalic acid | c1cc(ccc1C(=O)O)C(=O)O | Melting temperature | 427 | [oC] | Wikipedia/Wikidata |
Terephthalic acid | c1cc(ccc1C(=O)O)C(=O)O | Dipole Moment | 0 | [debye] | Wikipedia/Wikidata |
Terephthalic acid | c1cc(ccc1C(=O)O)C(=O)O | Density | 1.522 | [g/cm3] | Wikipedia/Wikidata |
Copper(I) chloride | Cl[Cu] | Refractive index | 1.93 | [-] | Wikipedia/Wikidata |
Copper(I) chloride | Cl[Cu] | Melting temperature | 423 | [oC] | Wikipedia/Wikidata |
Copper(I) chloride | Cl[Cu] | Boiling temperature | 1,490 | [oC] | Wikipedia/Wikidata |
Methyl yellow | N(=N/c1ccccc1)\c2ccc(N(C)C)cc2 | Melting temperature | 112 | [oC] | Wikipedia/Wikidata |
Methyl yellow | N(=N/c1ccccc1)\c2ccc(N(C)C)cc2 | Partition coefficient | 4.58 | [-] | Wikipedia/Wikidata |
Sulfuryl fluoride | FS(F)(=O)=O | Melting temperature | -124.7 | [oC] | Wikipedia/Wikidata |
Sulfuryl fluoride | FS(F)(=O)=O | Density | 4.172 | [g/cm3] | Wikipedia/Wikidata |
Sulfuryl fluoride | FS(F)(=O)=O | Boiling temperature | -55.4 | [oC] | Wikipedia/Wikidata |
Sodium bromide | [Na+].[Br-] | Melting temperature | 747 | [oC] | Wikipedia/Wikidata |
Sodium bromide | [Na+].[Br-] | Absolute molar magnetic susceptibility | 41 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Sodium bromide | [Na+].[Br-] | Density | 3.21 | [g/cm3] | Wikipedia/Wikidata |
Sodium bromide | [Na+].[Br-] | Boiling temperature | 1,390 | [oC] | Wikipedia/Wikidata |
Piperazine | C1CNCCN1 | Melting temperature | 106 | [oC] | Wikipedia/Wikidata |
Piperazine | C1CNCCN1 | Absolute molar magnetic susceptibility | 56.8 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Piperazine | C1CNCCN1 | Boiling temperature | 146 | [oC] | Wikipedia/Wikidata |
Cyclopentane | C1CCCC1 | Refractive index | 1.4065 | [-] | Wikipedia/Wikidata |
Cyclopentane | C1CCCC1 | Melting temperature | -93.9 | [oC] | Wikipedia/Wikidata |
Cyclopentane | C1CCCC1 | Absolute molar magnetic susceptibility | 59.18 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Cyclopentane | C1CCCC1 | Density | 0.751 | [g/cm3] | Wikipedia/Wikidata |
Cyclopentane | C1CCCC1 | Boiling temperature | 49.2 | [oC] | Wikipedia/Wikidata |
Titanium carbide | [Ti+]#[C-] | Melting temperature | 3,160 | [oC] | Wikipedia/Wikidata |
Titanium carbide | [Ti+]#[C-] | Absolute molar magnetic susceptibility | 8 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Titanium carbide | [Ti+]#[C-] | Density | 4.93 | [g/cm3] | Wikipedia/Wikidata |
Titanium carbide | [Ti+]#[C-] | Boiling temperature | 4,820 | [oC] | Wikipedia/Wikidata |
Chromium(III) chloride | [Cr+3].[Cl-].[Cl-].[Cl-] | Melting temperature | 1,152 | [oC] | Wikipedia/Wikidata |
Chromium(III) chloride | [Cr+3].[Cl-].[Cl-].[Cl-] | Absolute molar magnetic susceptibility | 6,890 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Chromium(III) chloride | [Cr+3].[Cl-].[Cl-].[Cl-] | Density | 2.87 | [g/cm3] | Wikipedia/Wikidata |
Chromium(III) chloride | [Cr+3].[Cl-].[Cl-].[Cl-] | Boiling temperature | 1,300 | [oC] | Wikipedia/Wikidata |
Ammonium sulfate | O=S(=O)(O)O.N.N | Absolute molar magnetic susceptibility | 67 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Ammonium sulfate | O=S(=O)(O)O.N.N | Density | 1.77 | [g/cm3] | Wikipedia/Wikidata |
Quinacridone | O=C4c5ccccc5Nc3cc2C(=O)c1c(cccc1)Nc2cc34 | Density | 1.47 | [g/cm3] | Wikipedia/Wikidata |
Acetylacetone | O=C(C)CC(=O)C | Melting temperature | -23 | [oC] | Wikipedia/Wikidata |
Acetylacetone | O=C(C)CC(=O)C | Absolute molar magnetic susceptibility | 54.88 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Acetylacetone | O=C(C)CC(=O)C | Boiling temperature | 140 | [oC] | Wikipedia/Wikidata |
Nickel(II) chloride | Cl[Ni]Cl | Melting temperature | 1,001 | [oC] | Wikipedia/Wikidata |
Nickel(II) chloride | Cl[Ni]Cl | Absolute molar magnetic susceptibility | 6,145 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Nickel(II) chloride | Cl[Ni]Cl | Density | 3.55 | [g/cm3] | Wikipedia/Wikidata |
Iron(II) chloride | Cl[Fe]Cl | Melting temperature | 677 | [oC] | Wikipedia/Wikidata |
Iron(II) chloride | Cl[Fe]Cl | Absolute molar magnetic susceptibility | 0 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Iron(II) chloride | Cl[Fe]Cl | Partition coefficient | -0.15 | [-] | Wikipedia/Wikidata |
Iron(II) chloride | Cl[Fe]Cl | Density | 3.16 | [g/cm3] | Wikipedia/Wikidata |
Iron(II) chloride | Cl[Fe]Cl | Boiling temperature | 1,023 | [oC] | Wikipedia/Wikidata |
Acetyl chloride | ClC(=O)C | Melting temperature | -112 | [oC] | Wikipedia/Wikidata |
Acetyl chloride | ClC(=O)C | Absolute molar magnetic susceptibility | 38.9 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Acetyl chloride | ClC(=O)C | Dipole Moment | 2.45 | [debye] | Wikipedia/Wikidata |
Acetyl chloride | ClC(=O)C | Density | 1.104 | [g/cm3] | Wikipedia/Wikidata |
Acetyl chloride | ClC(=O)C | Boiling temperature | 52 | [oC] | Wikipedia/Wikidata |
Thiourea | C(=S)(N)N | Melting temperature | 182 | [oC] | Wikipedia/Wikidata |
Thiourea | C(=S)(N)N | Density | 1.405 | [g/cm3] | Wikipedia/Wikidata |
Phenanthroline | c1cc2ccc3cccnc3c2nc1 | Melting temperature | 117 | [oC] | Wikipedia/Wikidata |
Phenanthroline | c1cc2ccc3cccnc3c2nc1 | Density | 1.31 | [g/cm3] | Wikipedia/Wikidata |