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 | CC(C)C1=C(C(=CC=C1)C(C)C)O | Refractive index | 1.514 | [-] | Wikipedia/Wikidata |
unknown | CC(C)C1=C(C(=CC=C1)C(C)C)O | Density | 0.955 | [g/cm3] | Wikipedia/Wikidata |
unknown | CC(C)C1=C(C(=CC=C1)C(C)C)O | Melting temperature | 18 | [oC] | Wikipedia/Wikidata |
unknown | CC(C)C1=C(C(=CC=C1)C(C)C)O | Boiling temperature | 247 | [oC] | Wikipedia/Wikidata |
unknown | CC1=NC2=CC=CC=C2C=C1 | Refractive index | 1.6126 | [-] | Wikipedia/Wikidata |
unknown | CC1=NC2=CC=CC=C2C=C1 | Density | 1.0585 | [g/cm3] | Wikipedia/Wikidata |
unknown | CC1=NC2=CC=CC=C2C=C1 | Melting temperature | -1 | [oC] | Wikipedia/Wikidata |
unknown | CC1=NC2=CC=CC=C2C=C1 | Boiling temperature | 247.6 | [oC] | Wikipedia/Wikidata |
unknown | CC(C(C1=CC=CC=C1)O)N(C)C | Density | 1.009 | [g/cm3] | Wikipedia/Wikidata |
unknown | CC(C(C1=CC=CC=C1)O)N(C)C | Boiling temperature | 251.2 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCC | Density | 0.762 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCC | Melting temperature | 5.8 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCC | Boiling temperature | 253.52 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C=CN2 | Density | 1.22 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C=CN2 | Melting temperature | 52.5 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C=CN2 | Boiling temperature | 254 | [oC] | Wikipedia/Wikidata |
unknown | C1=CN=CN1 | Density | 1.23 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CN=CN1 | Boiling temperature | 256 | [oC] | Wikipedia/Wikidata |
unknown | CN(C)C1=CC=C(C=C1)N | Melting temperature | 53 | [oC] | Wikipedia/Wikidata |
unknown | CN(C)C1=CC=C(C=C1)N | Boiling temperature | 262 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCNC=O | Boiling temperature | 262 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=C(C=C1O)Cl)O | Melting temperature | 105.5 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=C(C=C1O)Cl)O | Boiling temperature | 263 | [oC] | Wikipedia/Wikidata |
unknown | CC(=CC1=CC=CC=C1)[N+](=O)[O-] | Refractive index | 1.586 | [-] | Wikipedia/Wikidata |
unknown | CC(=CC1=CC=CC=C1)[N+](=O)[O-] | Density | 1.1 | [g/cm3] | Wikipedia/Wikidata |
unknown | CC(=CC1=CC=CC=C1)[N+](=O)[O-] | Boiling temperature | 263 | [oC] | Wikipedia/Wikidata |
unknown | C(CCC(=O)O)CC(=O)O | Density | 1.36 | [g/cm3] | Wikipedia/Wikidata |
unknown | C(CCC(=O)O)CC(=O)O | Melting enthalpy | 16.7 | [kJJ/mol] | Wikipedia/Wikidata |
unknown | C(CCC(=O)O)CC(=O)O | Melting temperature | 153 | [oC] | Wikipedia/Wikidata |
unknown | C(CCC(=O)O)CC(=O)O | Boiling temperature | 265 | [oC] | Wikipedia/Wikidata |
unknown | CC1=CNC2=CC=CC=C12 | Boiling temperature | 265 | [oC] | Wikipedia/Wikidata |
unknown | C1CC2=CC=CC3=C2C1=CC=C3 | Melting temperature | 93.4 | [oC] | Wikipedia/Wikidata |
unknown | C1CC2=CC=CC3=C2C1=CC=C3 | Boiling temperature | 279 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCC(=O)O | Density | 0.8505 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCC(=O)O | Melting temperature | 29 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCC(=O)O | Boiling temperature | 284 | [oC] | Wikipedia/Wikidata |
unknown | Br[Sb](Br)Br | Density | 4.35 | [g/cm3] | Wikipedia/Wikidata |
unknown | Br[Sb](Br)Br | Melting temperature | 96.6 | [oC] | Wikipedia/Wikidata |
unknown | Br[Sb](Br)Br | Boiling temperature | 288 | [oC] | Wikipedia/Wikidata |
unknown | CCOP(=O)(C)SCCN(C(C)C)C(C)C | Density | 1.00083 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCOP(=O)(C)SCCN(C(C)C)C(C)C | Melting temperature | -50 | [oC] | Wikipedia/Wikidata |
unknown | CCOP(=O)(C)SCCN(C(C)C)C(C)C | Boiling temperature | 298 | [oC] | Wikipedia/Wikidata |
unknown | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C | Density | 1.5 | [g/cm3] | Wikipedia/Wikidata |
unknown | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C | Melting temperature | 98 | [oC] | Wikipedia/Wikidata |
unknown | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C | Boiling temperature | 300 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C=CC(=O)O2 | Density | 0.935 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C=CC(=O)O2 | Melting temperature | 71 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C=CC(=O)O2 | Boiling temperature | 301 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCCCCC | Refractive index | 1.436 | [-] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCCCCC | Density | 0.777 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCCCCC | Boiling temperature | 301.8 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Hg]Cl | Density | 5.43 | [g/cm3] | Wikipedia/Wikidata |
unknown | Cl[Hg]Cl | Melting temperature | 276 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Hg]Cl | Boiling temperature | 304 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Fe](Cl)Cl | Density | 2.8 | [g/cm3] | Wikipedia/Wikidata |
unknown | Cl[Fe](Cl)Cl | Melting temperature | 306 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Fe](Cl)Cl | Boiling temperature | 315 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F | Melting temperature | 117.5 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F | Boiling temperature | 318 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 | Density | 1.016 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 | Boiling temperature | 346 | [oC] | Wikipedia/Wikidata |
unknown | CC(C)N(C)CCC1=CNC2=CC=CC=C21 | Boiling temperature | 353.7 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCC=CCCCCCCCC(=O)O | Melting temperature | 17 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCC=CCCCCCCCC(=O)O | Boiling temperature | 360 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2 | Density | 1.199 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2 | Melting temperature | 42 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2 | Boiling temperature | 360 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCCCCCC(=O)O | Density | 0.94 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCCCCCC(=O)O | Melting temperature | 69.6 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCCCCCC(=O)O | Boiling temperature | 361 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCCCCCCCCCC | Melting temperature | 44 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCCCCCCCCCC | Boiling temperature | 370 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O | Melting temperature | 286 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O | Boiling temperature | 379.8 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC2=C(C=C1O)C(=CN2)CCN | Melting temperature | 167.5 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC2=C(C=C1O)C(=CN2)CCN | Boiling temperature | 416 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC | Boiling temperature | 427.5 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O | Melting temperature | 289 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O | Boiling temperature | 430 | [oC] | Wikipedia/Wikidata |
unknown | COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)Cl)OC | Density | 1.149 | [g/cm3] | Wikipedia/Wikidata |
unknown | COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)Cl)OC | Boiling temperature | 450.01 | [oC] | Wikipedia/Wikidata |
unknown | CC(C)(CO)C(C(=O)NCCC(=O)O)O | Melting temperature | 183.83 | [oC] | Wikipedia/Wikidata |
unknown | CC(C)(CO)C(C(=O)NCCC(=O)O)O | Boiling temperature | 551.5 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C4C5=CC=CC=C25 | Density | 1.19 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C4C5=CC=CC=C25 | Melting temperature | 233.5 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C4C5=CC=CC=C25 | Boiling temperature | 577.6 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Sn]Cl | Density | 3.95 | [g/cm3] | Wikipedia/Wikidata |
unknown | Cl[Sn]Cl | Melting temperature | 247 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Sn]Cl | Boiling temperature | 623 | [oC] | Wikipedia/Wikidata |
unknown | CC1C=CC=CC(OC(=O)C(C(=O)C(C(=O)C2C1C=CC3C2C(C=C(C3)C)C)(Cl)Cl)C)C | Density | 1.21 | [g/cm3] | Wikipedia/Wikidata |
unknown | CC1C=CC=CC(OC(=O)C(C(=O)C(C(=O)C2C1C=CC3C2C(C=C(C3)C)C)(Cl)Cl)C)C | Boiling temperature | 635.3 | [oC] | Wikipedia/Wikidata |
unknown | [F-].[F-].[Ag] | Density | 4.6 | [g/cm3] | Wikipedia/Wikidata |
unknown | [F-].[F-].[Ag] | Melting temperature | 690 | [oC] | Wikipedia/Wikidata |
unknown | [F-].[F-].[Ag] | Boiling temperature | 700 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=C(C=C1C2C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O)O | Density | 1.808 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CC(=C(C=C1C2C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O)O | Boiling temperature | 724.6 | [oC] | Wikipedia/Wikidata |
unknown | I[Th](I)(I)I | Density | 6 | [g/cm3] | Wikipedia/Wikidata |
unknown | I[Th](I)(I)I | Melting temperature | 566 | [oC] | Wikipedia/Wikidata |
unknown | I[Th](I)(I)I | Boiling temperature | 837 | [oC] | Wikipedia/Wikidata |
unknown | CCCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=CC1CC=CC(=O)O1)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)O)O)O | Density | 1.18 | [g/cm3] | Wikipedia/Wikidata |