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 | 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 | Boiling temperature | 842.4 | [oC] | Wikipedia/Wikidata |
unknown | c1cc2c(c(c1)O)C(=O)c3c(cc(c(c3C(=O)c4c(cccc4O)C(=O)CCC(CC(=O)O)O)C(=O)O)O)C2=O | Density | 1.636 | [g/cm3] | Wikipedia/Wikidata |
unknown | c1cc2c(c(c1)O)C(=O)c3c(cc(c(c3C(=O)c4c(cccc4O)C(=O)CCC(CC(=O)O)O)C(=O)O)O)C2=O | Boiling temperature | 1,004.5 | [oC] | Wikipedia/Wikidata |
unknown | [K+].[I-] | Melting temperature | 681 | [oC] | Wikipedia/Wikidata |
unknown | [K+].[I-] | Boiling temperature | 1,324 | [oC] | Wikipedia/Wikidata |
unknown | [Cl-].[K+] | Density | 1.984 | [g/cm3] | Wikipedia/Wikidata |
unknown | [Cl-].[K+] | Melting temperature | 776 | [oC] | Wikipedia/Wikidata |
unknown | [Cl-].[K+] | Boiling temperature | 1,407 | [oC] | Wikipedia/Wikidata |
unknown | [Cl-].[Cl-].[Ca+2] | Density | 2.15 | [g/cm3] | Wikipedia/Wikidata |
unknown | [Cl-].[Cl-].[Ca+2] | Melting temperature | 772 | [oC] | Wikipedia/Wikidata |
unknown | [Cl-].[Cl-].[Ca+2] | Boiling temperature | 1,935 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Yb]Cl | Density | 5.08 | [g/cm3] | Wikipedia/Wikidata |
unknown | Cl[Yb]Cl | Melting temperature | 702 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Yb]Cl | Boiling temperature | 2,033 | [oC] | Wikipedia/Wikidata |
unknown | N#[Al] | Refractive index | 2.05 | [-] | Wikipedia/Wikidata |
unknown | N#[Al] | Density | 3.26 | [g/cm3] | Wikipedia/Wikidata |
unknown | N#[Al] | Melting temperature | 2,200 | [oC] | Wikipedia/Wikidata |
unknown | N#[Al] | Boiling temperature | 2,517 | [oC] | Wikipedia/Wikidata |
unknown | [O-2].[Sr+2] | Density | 4.078 | [g/cm3] | Wikipedia/Wikidata |
unknown | [O-2].[Sr+2] | Melting temperature | 2,430 | [oC] | Wikipedia/Wikidata |
unknown | [O-2].[Sr+2] | Boiling temperature | 3,200 | [oC] | Wikipedia/Wikidata |
unknown | C.[Zr] | Density | 6.73 | [g/cm3] | Wikipedia/Wikidata |
unknown | C.[Zr] | Melting temperature | 3,530 | [oC] | Wikipedia/Wikidata |
unknown | C.[Zr] | Boiling temperature | 5,100 | [oC] | Wikipedia/Wikidata |
unknown | C(#CCl)Cl | Density | 1.26 | [g/cm3] | Wikipedia/Wikidata |
unknown | C(#CCl)Cl | Melting temperature | -50 | [oC] | Wikipedia/Wikidata |
unknown | CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC | Density | 1.26 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC | Melting temperature | -20 | [oC] | Wikipedia/Wikidata |
unknown | COC1=C(C=C(C=C1)N)N | Melting temperature | 67.222222 | [oC] | Wikipedia/Wikidata |
unknown | C(C=O)C=O | Melting temperature | 71.666667 | [oC] | Wikipedia/Wikidata |
unknown | CC1=C(C=C(C=C1C(=O)N)[N+](=O)[O-])[N+](=O)[O-] | Melting temperature | 177.222222 | [oC] | Wikipedia/Wikidata |
unknown | CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2 | Melting temperature | 193.888889 | [oC] | Wikipedia/Wikidata |
unknown | C(C(=O)[O-])F.[Na+] | Melting temperature | 200 | [oC] | Wikipedia/Wikidata |
unknown | CC1=C(C(=O)C(=C(N1)C)Cl)Cl | Melting temperature | 320 | [oC] | Wikipedia/Wikidata |
unknown | CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O | Melting temperature | 205 | [oC] | Wikipedia/Wikidata |
unknown | C(=O)(C(C(F)(F)F)(F)OC(C(C(F)(F)F)(F)F)(F)F)O[H].N | Melting temperature | 208.15 | [oC] | Wikipedia/Wikidata |
unknown | [Fe] | Density | 7.874 | [g/cm3] | Wikipedia/Wikidata |
unknown | [Fe] | Melting temperature | 1,538 | [oC] | Wikipedia/Wikidata |
unknown | CCC1CC1 | Melting temperature | -149 | [oC] | Wikipedia/Wikidata |
unknown | CCC=CCC=CCC=CCCCCCCCC(=O)O | Melting temperature | -113 | [oC] | Wikipedia/Wikidata |
unknown | C(C(F)(F)F)F | Melting temperature | -103.3 | [oC] | Wikipedia/Wikidata |
unknown | CCCC=O | Melting temperature | -99 | [oC] | Wikipedia/Wikidata |
unknown | CC(C)OP(=O)(OC(C)C)F | Melting temperature | -82 | [oC] | Wikipedia/Wikidata |
unknown | C[Si](C)(C)N[Si](C)(C)C | Melting temperature | -78 | [oC] | Wikipedia/Wikidata |
unknown | CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C | Melting temperature | -75 | [oC] | Wikipedia/Wikidata |
unknown | NCl | Melting temperature | -66 | [oC] | Wikipedia/Wikidata |
unknown | C#CC1=CC=CC=C1 | Density | 0.93 | [g/cm3] | Wikipedia/Wikidata |
unknown | C#CC1=CC=CC=C1 | Melting temperature | -45 | [oC] | Wikipedia/Wikidata |
unknown | C1CC(=O)OC1 | Melting temperature | -45 | [oC] | Wikipedia/Wikidata |
unknown | C[Hg]C | Melting temperature | -43 | [oC] | Wikipedia/Wikidata |
unknown | C#CC#C | Melting temperature | -36.4 | [oC] | Wikipedia/Wikidata |
unknown | C[Si](C)(N=C=O)N=C=O | Refractive index | 1.4226 | [-] | Wikipedia/Wikidata |
unknown | C[Si](C)(N=C=O)N=C=O | Density | 0.976 | [g/cm3] | Wikipedia/Wikidata |
unknown | C[Si](C)(N=C=O)N=C=O | Melting temperature | -31 | [oC] | Wikipedia/Wikidata |
unknown | CC(=O)CC(=O)C | Melting temperature | -23 | [oC] | Wikipedia/Wikidata |
unknown | C1CCCC=CCC1 | Density | 0.846 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1CCCC=CCC1 | Melting temperature | -16 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCC=CCC=CCCCCCCCC(=O)O | Melting temperature | -5 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)C(=O)Cl | Melting temperature | -1 | [oC] | Wikipedia/Wikidata |
unknown | C(CCN)CCN | Melting temperature | 9 | [oC] | Wikipedia/Wikidata |
unknown | CC(=CCCC(=CCO)C)C | Density | 0.889 | [g/cm3] | Wikipedia/Wikidata |
unknown | CC(=CCCC(=CCO)C)C | Melting temperature | 15 | [oC] | Wikipedia/Wikidata |
unknown | C[Al](C)C | Melting temperature | 15 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCO | Melting temperature | 19 | [oC] | Wikipedia/Wikidata |
unknown | C1CC(C=C1)CCCCCCC(=O)O | Melting temperature | 32 | [oC] | Wikipedia/Wikidata |
unknown | CN1CCC(=CC1)C2=CC=CC=C2 | Melting temperature | 39 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCC=CCCCCCCCC(=O)O | Melting temperature | 44 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCC(=O)O | Melting temperature | 44 | [oC] | Wikipedia/Wikidata |
unknown | CC1=C(C(C(=C(C1O)OC)OC)O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C | Melting temperature | 45.6 | [oC] | Wikipedia/Wikidata |
unknown | C1CC(C=C1)CCCCCCCCC(=O)O | Melting temperature | 48 | [oC] | Wikipedia/Wikidata |
unknown | C1=CN=CC=N1 | Melting temperature | 52 | [oC] | Wikipedia/Wikidata |
unknown | C(CO[N+](=O)[O-])N(CCO[N+](=O)[O-])[N+](=O)[O-] | Melting temperature | 52 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCOC1=CC=C(C=C1)[I+]C2=CC=CC=C2.F[Sb-](F)(F)(F)(F)F | Melting temperature | 57 | [oC] | Wikipedia/Wikidata |
unknown | CC(CC1=CC(=C(C=C1OC)Br)OC)N | Melting temperature | 64 | [oC] | Wikipedia/Wikidata |
unknown | CC(C)NC(=O)C=C | Melting temperature | 64 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O | Melting temperature | 66 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCC=CC(C(CO)N)O | Melting temperature | 67 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=C(C=C1N)N)O | Melting temperature | 78 | [oC] | Wikipedia/Wikidata |
unknown | C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3(C(C(C(O3)CO)O)O)CO)CO)O)O)O)O | Melting temperature | 80.25 | [oC] | Wikipedia/Wikidata |
unknown | CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 | Melting temperature | 83 | [oC] | Wikipedia/Wikidata |
unknown | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])[N+](=O)[O-] | Density | 1.797 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])[N+](=O)[O-] | Melting temperature | 83 | [oC] | Wikipedia/Wikidata |
unknown | CC(=O)CC(=O)NC1=CC=CC=C1 | Melting temperature | 85 | [oC] | Wikipedia/Wikidata |
unknown | CCOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] | Melting temperature | 86 | [oC] | Wikipedia/Wikidata |
unknown | CCC1CCC(=C2C(=O)C(OC2=O)C)O1 | Melting temperature | 89 | [oC] | Wikipedia/Wikidata |
unknown | C(C1C(C(C(O1)O)O)O)O | Density | 0.8 | [g/cm3] | Wikipedia/Wikidata |
unknown | C(C1C(C(C(O1)O)O)O)O | Melting temperature | 90 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCCCCCC(=O)O[Sn]OC(=O)CCCCCCCCCCCCCCCCC | Density | 1.05 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCCCCCC(=O)O[Sn]OC(=O)CCCCCCCCCCCCCCCCC | Melting temperature | 90 | [oC] | Wikipedia/Wikidata |
unknown | C1C(C(OC1O)CO)O | Melting temperature | 91 | [oC] | Wikipedia/Wikidata |
unknown | C(C(C(C(C(CO)O)O)O)O)O | Melting temperature | 95 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC2=NNN=C2C=C1 | Melting temperature | 97.3 | [oC] | Wikipedia/Wikidata |
unknown | C(C(C(=O)O)O)C(=O)O | Melting temperature | 100 | [oC] | Wikipedia/Wikidata |
unknown | C(C(C(C(C(=O)CO)O)O)O)O | Melting temperature | 103 | [oC] | Wikipedia/Wikidata |
unknown | Nc1ccccc1N | Melting temperature | 103 | [oC] | Wikipedia/Wikidata |
unknown | C(CCCC(=O)O)CCCC(=O)O | Density | 1.251 | [g/cm3] | Wikipedia/Wikidata |
unknown | C(CCCC(=O)O)CCCC(=O)O | Melting temperature | 106.5 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=C(C=C1O)Br)O | Melting temperature | 110.5 | [oC] | Wikipedia/Wikidata |
unknown | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | Melting temperature | 115.2 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=O)C=CC1=O | Density | 1.32 | [g/cm3] | Wikipedia/Wikidata |