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 |
|---|---|---|---|---|---|
Imidazole | c1cnc[nH]1 | Density | 1.23 | [g/cm3] | Wikipedia/Wikidata |
Imidazole | c1cnc[nH]1 | Boiling temperature | 256 | [oC] | Wikipedia/Wikidata |
Polyoxymethylene | null | Density | 1.41 | [g/cm3] | Wikipedia/Wikidata |
Chlorophyll a | CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)[C@H](C4=O)C(=O)OC)C)C.[Mg+2] | Melting temperature | 152.3 | [oC] | Wikipedia/Wikidata |
2,5-Dimethoxy-4-iodoamphetamine | IC(C=C1OC)=C(OC)C=C1CC(C)N | Melting temperature | 201.5 | [oC] | Wikipedia/Wikidata |
1,8-Bis(dimethylamino)naphthalene | CN(C)C1=CC=CC2=C1C(=CC=C2)N(C)C | Melting temperature | 47.8 | [oC] | Wikipedia/Wikidata |
Microcosmic salt | [NH4+].OP(=O)([O-])[O-].[Na+] | Melting temperature | 80 | [oC] | Wikipedia/Wikidata |
Microcosmic salt | [NH4+].OP(=O)([O-])[O-].[Na+] | Density | 1.544 | [g/cm3] | Wikipedia/Wikidata |
Lead(II) chloride | Cl[Pb]Cl | Refractive index | 2.199 | [-] | Wikipedia/Wikidata |
Lead(II) chloride | Cl[Pb]Cl | Melting temperature | 501 | [oC] | Wikipedia/Wikidata |
Lead(II) chloride | Cl[Pb]Cl | Absolute molar magnetic susceptibility | 73.8 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Lead(II) chloride | Cl[Pb]Cl | Density | 5.85 | [g/cm3] | Wikipedia/Wikidata |
Lead(II) chloride | Cl[Pb]Cl | Boiling temperature | 950 | [oC] | Wikipedia/Wikidata |
Polydimethylsiloxane | C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C | Density | 0.965 | [g/cm3] | Wikipedia/Wikidata |
Ammonium carbonate | O=C(O)O.N.N | Melting temperature | 58 | [oC] | Wikipedia/Wikidata |
Ammonium carbonate | O=C(O)O.N.N | Absolute molar magnetic susceptibility | 42.5 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Ammonium carbonate | O=C(O)O.N.N | Density | 1.5 | [g/cm3] | Wikipedia/Wikidata |
Aluminium nitride | [AlH2-]1[N+]47[AlH-]2[N+][AlH-]3[N+]8([AlH2-][NH+]([AlH2-]4)[AlH2-]6)[AlH-]4[N+][AlH-]5[N+]6([AlH2-]6)[Al-]78[N+]78[AlH-]([NH+]69)[NH+]5[AlH2-][NH+]4[AlH-]7[NH+]3[AlH2-][NH+]2[AlH-]8[NH+]1[AlH2-]9 | Thermal Conductivity | 285 | [W/m/K] | Wikipedia/Wikidata |
Aluminium nitride | [AlH2-]1[N+]47[AlH-]2[N+][AlH-]3[N+]8([AlH2-][NH+]([AlH2-]4)[AlH2-]6)[AlH-]4[N+][AlH-]5[N+]6([AlH2-]6)[Al-]78[N+]78[AlH-]([NH+]69)[NH+]5[AlH2-][NH+]4[AlH-]7[NH+]3[AlH2-][NH+]2[AlH-]8[NH+]1[AlH2-]9 | Melting temperature | 2,200 | [oC] | Wikipedia/Wikidata |
Aluminium nitride | [AlH2-]1[N+]47[AlH-]2[N+][AlH-]3[N+]8([AlH2-][NH+]([AlH2-]4)[AlH2-]6)[AlH-]4[N+][AlH-]5[N+]6([AlH2-]6)[Al-]78[N+]78[AlH-]([NH+]69)[NH+]5[AlH2-][NH+]4[AlH-]7[NH+]3[AlH2-][NH+]2[AlH-]8[NH+]1[AlH2-]9 | Molar Heat Capacity | 30.1 | [J/mol/K] | Wikipedia/Wikidata |
Aluminium nitride | [AlH2-]1[N+]47[AlH-]2[N+][AlH-]3[N+]8([AlH2-][NH+]([AlH2-]4)[AlH2-]6)[AlH-]4[N+][AlH-]5[N+]6([AlH2-]6)[Al-]78[N+]78[AlH-]([NH+]69)[NH+]5[AlH2-][NH+]4[AlH-]7[NH+]3[AlH2-][NH+]2[AlH-]8[NH+]1[AlH2-]9 | Density | 3.26 | [g/cm3] | Wikipedia/Wikidata |
Aluminium nitride | [AlH2-]1[N+]47[AlH-]2[N+][AlH-]3[N+]8([AlH2-][NH+]([AlH2-]4)[AlH2-]6)[AlH-]4[N+][AlH-]5[N+]6([AlH2-]6)[Al-]78[N+]78[AlH-]([NH+]69)[NH+]5[AlH2-][NH+]4[AlH-]7[NH+]3[AlH2-][NH+]2[AlH-]8[NH+]1[AlH2-]9 | Absolute standard enthalpy of formation | 318 | [kJ/mol] | Wikipedia/Wikidata |
Aluminium nitride | [AlH2-]1[N+]47[AlH-]2[N+][AlH-]3[N+]8([AlH2-][NH+]([AlH2-]4)[AlH2-]6)[AlH-]4[N+][AlH-]5[N+]6([AlH2-]6)[Al-]78[N+]78[AlH-]([NH+]69)[NH+]5[AlH2-][NH+]4[AlH-]7[NH+]3[AlH2-][NH+]2[AlH-]8[NH+]1[AlH2-]9 | Boiling temperature | 2,517 | [oC] | Wikipedia/Wikidata |
Potassium dichromate | [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O | Refractive index | 1.738 | [-] | Wikipedia/Wikidata |
Potassium dichromate | [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O | Melting temperature | 398 | [oC] | Wikipedia/Wikidata |
Potassium dichromate | [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O | Heat Capacity | 2 | [J/g/K] | Wikipedia/Wikidata |
Potassium dichromate | [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O | Density | 2.676 | [g/cm3] | Wikipedia/Wikidata |
Potassium dichromate | [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O | Absolute standard enthalpy of formation | 2,033 | [kJ/mol] | Wikipedia/Wikidata |
Potassium dichromate | [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O | Boiling temperature | 500 | [oC] | Wikipedia/Wikidata |
3-Pentanone | O=C(CC)CC | Melting temperature | -39 | [oC] | Wikipedia/Wikidata |
3-Pentanone | O=C(CC)CC | Absolute molar magnetic susceptibility | 58.14 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
3-Pentanone | O=C(CC)CC | Boiling temperature | 102 | [oC] | Wikipedia/Wikidata |
Pentaborane(9) | [H]1[BH]2[H][BH]3[BH]24[BH]1[H][BH]4[H]3 | Melting temperature | -46.8 | [oC] | Wikipedia/Wikidata |
Pentaborane(9) | [H]1[BH]2[H][BH]3[BH]24[BH]1[H][BH]4[H]3 | Dipole Moment | 0 | [debye] | Wikipedia/Wikidata |
Pentaborane(9) | [H]1[BH]2[H][BH]3[BH]24[BH]1[H][BH]4[H]3 | Density | 0.618 | [g/cm3] | Wikipedia/Wikidata |
Pentaborane(9) | [H]1[BH]2[H][BH]3[BH]24[BH]1[H][BH]4[H]3 | Boiling temperature | 60.1 | [oC] | Wikipedia/Wikidata |
AP-7 (drug) | O=P(O)(O)CCCCCC(N)C(=O)O | Density | 1.39 | [g/cm3] | Wikipedia/Wikidata |
AP-7 (drug) | O=P(O)(O)CCCCCC(N)C(=O)O | Boiling temperature | 480.1 | [oC] | Wikipedia/Wikidata |
Jet fuel | null | Melting temperature | -47 | [oC] | Wikipedia/Wikidata |
Jet fuel | null | Density | 0.775 | [g/cm3] | Wikipedia/Wikidata |
Jet fuel | null | Boiling temperature | 176 | [oC] | Wikipedia/Wikidata |
Resorcinol | c1cc(cc(c1)O)O | Melting temperature | 110 | [oC] | Wikipedia/Wikidata |
Resorcinol | c1cc(cc(c1)O)O | Absolute molar magnetic susceptibility | 67.26 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Resorcinol | c1cc(cc(c1)O)O | Density | 1.28 | [g/cm3] | Wikipedia/Wikidata |
Resorcinol | c1cc(cc(c1)O)O | Boiling temperature | 277 | [oC] | Wikipedia/Wikidata |
Cerium(III) chloride | [Cl-].[Cl-].[Cl-].[Ce+3] | Melting temperature | 817 | [oC] | Wikipedia/Wikidata |
Cerium(III) chloride | [Cl-].[Cl-].[Cl-].[Ce+3] | Absolute molar magnetic susceptibility | 2,490 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Cerium(III) chloride | [Cl-].[Cl-].[Cl-].[Ce+3] | Density | 3.97 | [g/cm3] | Wikipedia/Wikidata |
Cerium(III) chloride | [Cl-].[Cl-].[Cl-].[Ce+3] | Boiling temperature | 1,727 | [oC] | Wikipedia/Wikidata |
Gluconic acid | O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO | Melting temperature | 131 | [oC] | Wikipedia/Wikidata |
Geranic acid | O=C(O)/C=C(/CC\C=C(/C)C)C | Density | 0.97 | [g/cm3] | Wikipedia/Wikidata |
Geranic acid | O=C(O)/C=C(/CC\C=C(/C)C)C | Boiling temperature | 249 | [oC] | Wikipedia/Wikidata |
Neodymium(III) chloride | Cl[Nd](Cl)Cl | Melting temperature | 758 | [oC] | Wikipedia/Wikidata |
Neodymium(III) chloride | Cl[Nd](Cl)Cl | Density | 4.13 | [g/cm3] | Wikipedia/Wikidata |
Neodymium(III) chloride | Cl[Nd](Cl)Cl | Boiling temperature | 1,600 | [oC] | Wikipedia/Wikidata |
Pine tar | null | Density | 1.01 | [g/cm3] | Wikipedia/Wikidata |
Pine tar | null | Boiling temperature | 150 | [oC] | Wikipedia/Wikidata |
Sodium fluoride | null | Vapor pressure | 0.13 | [kPa] | Wikipedia/Wikidata |
Sodium fluoride | null | Refractive index | 1.3252 | [-] | Wikipedia/Wikidata |
Sodium fluoride | null | Melting temperature | 993 | [oC] | Wikipedia/Wikidata |
Sodium fluoride | null | Absolute molar magnetic susceptibility | 16.4 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Sodium fluoride | null | Molar Heat Capacity | 46.82 | [J/mol/K] | Wikipedia/Wikidata |
Sodium fluoride | null | Density | 2.558 | [g/cm3] | Wikipedia/Wikidata |
Sodium fluoride | null | Absolute standard enthalpy of formation | 573.6 | [kJ/mol] | Wikipedia/Wikidata |
Sodium fluoride | null | Boiling temperature | 1,704 | [oC] | Wikipedia/Wikidata |
Mercury(I) chloride | Cl[Hg][Hg]Cl | Refractive index | 1.973 | [-] | Wikipedia/Wikidata |
Mercury(I) chloride | Cl[Hg][Hg]Cl | Melting temperature | 525 | [oC] | Wikipedia/Wikidata |
Mercury(I) chloride | Cl[Hg][Hg]Cl | Absolute molar magnetic susceptibility | 26 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Mercury(I) chloride | Cl[Hg][Hg]Cl | Density | 7.15 | [g/cm3] | Wikipedia/Wikidata |
Mercury(I) chloride | Cl[Hg][Hg]Cl | Boiling temperature | 383 | [oC] | Wikipedia/Wikidata |
Tantalum carbide | null | Absolute standard enthalpy of formation | 144.1 | [kJ/mol] | Wikipedia/Wikidata |
Tantalum carbide | null | Boiling temperature | 4,780 | [oC] | Wikipedia/Wikidata |
Zirconium tungstate | null | Density | 5.09 | [g/cm3] | Wikipedia/Wikidata |
Lithium chloride | [Li+].[Cl-] | Refractive index | 1.662 | [-] | Wikipedia/Wikidata |
Lithium chloride | [Li+].[Cl-] | Absolute molar magnetic susceptibility | 24.3 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Lithium chloride | [Li+].[Cl-] | Dipole Moment | 7.13 | [debye] | Wikipedia/Wikidata |
Lithium chloride | [Li+].[Cl-] | Density | 2.068 | [g/cm3] | Wikipedia/Wikidata |
Lithium chloride | [Li+].[Cl-] | Boiling temperature | 1,382 | [oC] | Wikipedia/Wikidata |
Acrolein | O=CC=C | Melting temperature | -88 | [oC] | Wikipedia/Wikidata |
Acrolein | O=CC=C | Density | 0.839 | [g/cm3] | Wikipedia/Wikidata |
Acrolein | O=CC=C | Boiling temperature | 53 | [oC] | Wikipedia/Wikidata |
Ethyl acetate | O=C(OCC)C | Viscosity | 426,000 | [mPas] | Wikipedia/Wikidata |
Ethyl acetate | O=C(OCC)C | Refractive index | 1.372 | [-] | Wikipedia/Wikidata |
Ethyl acetate | O=C(OCC)C | Melting temperature | -83.6 | [oC] | Wikipedia/Wikidata |
Ethyl acetate | O=C(OCC)C | Dipole Moment | 1.78 | [debye] | Wikipedia/Wikidata |
Ethyl acetate | O=C(OCC)C | Density | 0.902 | [g/cm3] | Wikipedia/Wikidata |
Ethyl acetate | O=C(OCC)C | Boiling temperature | 77.1 | [oC] | Wikipedia/Wikidata |
Acenaphthene | c2cc1cccc3c1c(c2)CC3 | Melting temperature | 93.4 | [oC] | Wikipedia/Wikidata |
Acenaphthene | c2cc1cccc3c1c(c2)CC3 | Density | 1.024 | [g/cm3] | Wikipedia/Wikidata |
Acenaphthene | c2cc1cccc3c1c(c2)CC3 | Boiling temperature | 279 | [oC] | Wikipedia/Wikidata |
Paraldehyde | CC1OC(C)OC(C)O1 | Melting temperature | 12 | [oC] | Wikipedia/Wikidata |
Paraldehyde | CC1OC(C)OC(C)O1 | Absolute molar magnetic susceptibility | 86.2 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Paraldehyde | CC1OC(C)OC(C)O1 | Density | 0.996 | [g/cm3] | Wikipedia/Wikidata |
Paraldehyde | CC1OC(C)OC(C)O1 | Boiling temperature | 124 | [oC] | Wikipedia/Wikidata |
Tin(IV) chloride | Cl[Sn](Cl)(Cl)Cl | Vapor pressure | 2.4 | [kPa] | Wikipedia/Wikidata |
Tin(IV) chloride | Cl[Sn](Cl)(Cl)Cl | Refractive index | 1.512 | [-] | Wikipedia/Wikidata |
Tin(IV) chloride | Cl[Sn](Cl)(Cl)Cl | Melting temperature | -34.07 | [oC] | Wikipedia/Wikidata |
Tin(IV) chloride | Cl[Sn](Cl)(Cl)Cl | Absolute molar magnetic susceptibility | 115 | [10^-6 cm3/mol] | Wikipedia/Wikidata |
Tin(IV) chloride | Cl[Sn](Cl)(Cl)Cl | Density | 2.226 | [g/cm3] | Wikipedia/Wikidata |
Tin(IV) chloride | Cl[Sn](Cl)(Cl)Cl | Boiling temperature | 114.15 | [oC] | Wikipedia/Wikidata |