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 |
|---|---|---|---|---|---|
unknown | [O-]S(=O)(=O)[O-].[Fe+2] | Density | 1.898 | [g/cm3] | Wikipedia/Wikidata |
unknown | [O-]S(=O)(=O)[O-].[Fe+2] | Decomposition temperature | 680 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Rh](Cl)Cl | Decomposition temperature | 970 | [oC] | Wikipedia/Wikidata |
unknown | C(=O)([O-])[O-].[Na+].[Na+] | Density | 2.53 | [g/cm3] | Wikipedia/Wikidata |
unknown | C(=O)([O-])[O-].[Na+].[Na+] | Melting temperature | 852 | [oC] | Wikipedia/Wikidata |
unknown | C(=O)([O-])[O-].[Na+].[Na+] | Decomposition temperature | 1,000 | [oC] | Wikipedia/Wikidata |
unknown | [V].[V].[V].[Ga] | Density | 6.5 | [g/cm3] | Wikipedia/Wikidata |
unknown | [V].[V].[V].[Ga] | Decomposition temperature | 1,300 | [oC] | Wikipedia/Wikidata |
unknown | [B].[B].[Mg] | Density | 2.57 | [g/cm3] | Wikipedia/Wikidata |
unknown | [He] | Refractive index | 1.000036 | [-] | Wikipedia/Wikidata |
unknown | [He] | Boiling temperature | -268.927778 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)P | Density | 1.001 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)P | Boiling temperature | 160 | [oC] | Wikipedia/Wikidata |
unknown | CN(C)CCOCCN(C)C | Boiling temperature | 188.888889 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCS | Density | 0.84 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCS | Melting temperature | -2.777778 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCS | Boiling temperature | 257.222222 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2 | Density | 1.24 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2 | Melting temperature | 107.777778 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2 | Boiling temperature | 395 | [oC] | Wikipedia/Wikidata |
unknown | [Au] | Melting temperature | 1,064.18 | [oC] | Wikipedia/Wikidata |
unknown | [Au] | Boiling temperature | 2,970 | [oC] | Wikipedia/Wikidata |
unknown | [HH] | Melting temperature | -259.04 | [oC] | Wikipedia/Wikidata |
unknown | [HH] | Boiling temperature | -252.61 | [oC] | Wikipedia/Wikidata |
unknown | CC(F)F | Melting temperature | -117 | [oC] | Wikipedia/Wikidata |
unknown | CC(F)F | Boiling temperature | -85.6 | [oC] | Wikipedia/Wikidata |
unknown | CF | Melting temperature | -141.7 | [oC] | Wikipedia/Wikidata |
unknown | CF | Boiling temperature | -78.26 | [oC] | Wikipedia/Wikidata |
unknown | CC(F)(F)F | Melting temperature | -111.2 | [oC] | Wikipedia/Wikidata |
unknown | CC(F)(F)F | Boiling temperature | -47.4 | [oC] | Wikipedia/Wikidata |
unknown | C | Melting temperature | -182.49 | [oC] | Wikipedia/Wikidata |
unknown | C | Boiling temperature | -161.58 | [oC] | Wikipedia/Wikidata |
unknown | C=C | Density | 0.001178 | [g/cm3] | Wikipedia/Wikidata |
unknown | C=C | Melting temperature | -169.2 | [oC] | Wikipedia/Wikidata |
unknown | C=C | Boiling temperature | -103.7 | [oC] | Wikipedia/Wikidata |
unknown | C1CC1 | Melting temperature | -127.62 | [oC] | Wikipedia/Wikidata |
unknown | C1CC1 | Boiling temperature | -32.86 | [oC] | Wikipedia/Wikidata |
unknown | C([N+](=O)[O-])(F)(F)F | Boiling temperature | -31 | [oC] | Wikipedia/Wikidata |
unknown | C1CCC1 | Density | 0.72 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1CCC1 | Melting temperature | -91 | [oC] | Wikipedia/Wikidata |
unknown | C1CCC1 | Boiling temperature | 12.5 | [oC] | Wikipedia/Wikidata |
unknown | CC1(C)CC1 | Density | 0.765 | [g/cm3] | Wikipedia/Wikidata |
unknown | CC1(C)CC1 | Boiling temperature | 20.6 | [oC] | Wikipedia/Wikidata |
unknown | N=[N+]=[N-] | Density | 1.09 | [g/cm3] | Wikipedia/Wikidata |
unknown | N=[N+]=[N-] | Melting temperature | -80 | [oC] | Wikipedia/Wikidata |
unknown | N=[N+]=[N-] | Boiling temperature | 37 | [oC] | Wikipedia/Wikidata |
unknown | C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F | Melting temperature | -108 | [oC] | Wikipedia/Wikidata |
unknown | C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F | Boiling temperature | 49.2 | [oC] | Wikipedia/Wikidata |
unknown | C[Ga](C)C | Boiling temperature | 55.7 | [oC] | Wikipedia/Wikidata |
unknown | C[Si](C)(C)Br | Refractive index | 1.425 | [-] | Wikipedia/Wikidata |
unknown | C[Si](C)(C)Br | Melting temperature | -44 | [oC] | Wikipedia/Wikidata |
unknown | C[Si](C)(C)Br | Boiling temperature | 79 | [oC] | Wikipedia/Wikidata |
unknown | O=Cl(=O)(=O)OCl(=O)(=O)=O | Density | 1.9 | [g/cm3] | Wikipedia/Wikidata |
unknown | O=Cl(=O)(=O)OCl(=O)(=O)=O | Melting temperature | -91.57 | [oC] | Wikipedia/Wikidata |
unknown | O=Cl(=O)(=O)OCl(=O)(=O)=O | Boiling temperature | 82 | [oC] | Wikipedia/Wikidata |
unknown | C1CCNC1 | Density | 0.866 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1CCNC1 | Melting temperature | -63 | [oC] | Wikipedia/Wikidata |
unknown | C1CCNC1 | Boiling temperature | 87 | [oC] | Wikipedia/Wikidata |
unknown | COC(=O)OC | Refractive index | 1.3687 | [-] | Wikipedia/Wikidata |
unknown | COC(=O)OC | Density | 1.0636 | [g/cm3] | Wikipedia/Wikidata |
unknown | COC(=O)OC | Melting temperature | -1 | [oC] | Wikipedia/Wikidata |
unknown | COC(=O)OC | Boiling temperature | 90.11 | [oC] | Wikipedia/Wikidata |
unknown | COC1=CC=C(C=C1)CS | Density | 1.107 | [g/cm3] | Wikipedia/Wikidata |
unknown | COC1=CC=C(C=C1)CS | Boiling temperature | 92.5 | [oC] | Wikipedia/Wikidata |
unknown | C1=CON=C1 | Boiling temperature | 95 | [oC] | Wikipedia/Wikidata |
unknown | C1CC2=NCCCN2C1 | Refractive index | 1.519 | [-] | Wikipedia/Wikidata |
unknown | C1CC2=NCCCN2C1 | Density | 1.005 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1CC2=NCCCN2C1 | Boiling temperature | 96 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+] | Melting temperature | -1 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+] | Boiling temperature | 100 | [oC] | Wikipedia/Wikidata |
unknown | O | Refractive index | 1.3945 | [-] | Wikipedia/Wikidata |
unknown | O | Density | 0.983854 | [g/cm3] | Wikipedia/Wikidata |
unknown | O | Melting temperature | 0 | [oC] | Wikipedia/Wikidata |
unknown | O | Boiling temperature | 100 | [oC] | Wikipedia/Wikidata |
unknown | CC(C)O[N+](=O)[O-] | Density | 1.036 | [g/cm3] | Wikipedia/Wikidata |
unknown | CC(C)O[N+](=O)[O-] | Melting temperature | -82.5 | [oC] | Wikipedia/Wikidata |
unknown | CC(C)O[N+](=O)[O-] | Boiling temperature | 101.5 | [oC] | Wikipedia/Wikidata |
unknown | C1CCNCC1 | Refractive index | 1.453 | [-] | Wikipedia/Wikidata |
unknown | C1CCNCC1 | Density | 0.862 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1CCNCC1 | Melting temperature | -7 | [oC] | Wikipedia/Wikidata |
unknown | C1CCNCC1 | Boiling temperature | 106 | [oC] | Wikipedia/Wikidata |
unknown | [N+](=O)(O)[O-].Cl | Density | 1.01 | [g/cm3] | Wikipedia/Wikidata |
unknown | [N+](=O)(O)[O-].Cl | Melting temperature | -42 | [oC] | Wikipedia/Wikidata |
unknown | [N+](=O)(O)[O-].Cl | Boiling temperature | 108 | [oC] | Wikipedia/Wikidata |
unknown | CCCC(C(=O)C1=CC=CC=C1)N2CCCC2 | Refractive index | 1.537 | [-] | Wikipedia/Wikidata |
unknown | CCCC(C(=O)C1=CC=CC=C1)N2CCCC2 | Density | 1.031 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCCC(C(=O)C1=CC=CC=C1)N2CCCC2 | Melting temperature | 173 | [oC] | Wikipedia/Wikidata |
unknown | CCCC(C(=O)C1=CC=CC=C1)N2CCCC2 | Boiling temperature | 113 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Sn](Cl)(Cl)Cl | Melting temperature | -33 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Sn](Cl)(Cl)Cl | Boiling temperature | 114.15 | [oC] | Wikipedia/Wikidata |
unknown | C1=CN=CN=C1 | Density | 1.016 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CN=CN=C1 | Melting temperature | 21 | [oC] | Wikipedia/Wikidata |
unknown | C1=CN=CN=C1 | Boiling temperature | 124 | [oC] | Wikipedia/Wikidata |
unknown | C(=O)(OC(Cl)(Cl)Cl)Cl | Refractive index | 1.4566 | [-] | Wikipedia/Wikidata |
unknown | C(=O)(OC(Cl)(Cl)Cl)Cl | Density | 1.65 | [g/cm3] | Wikipedia/Wikidata |
unknown | C(=O)(OC(Cl)(Cl)Cl)Cl | Melting temperature | -57 | [oC] | Wikipedia/Wikidata |
unknown | C(=O)(OC(Cl)(Cl)Cl)Cl | Boiling temperature | 127.5 | [oC] | Wikipedia/Wikidata |
unknown | C(=NO)(Cl)Cl | Melting temperature | 37.5 | [oC] | Wikipedia/Wikidata |
unknown | C(=NO)(Cl)Cl | Boiling temperature | 128 | [oC] | Wikipedia/Wikidata |
unknown | [H+].[B-](F)(F)(F)F | Melting temperature | -90 | [oC] | Wikipedia/Wikidata |