Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1986 | |
|---|---|---|
| Name: | pentadecafluorooctanoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: perfluorooctanoic acid | |
| Labels: | ||
| CAS: | 335-67-1 | |
| InChi Code: | InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25) |
Properties
M15.logSw: Water solubility as log(Sw) [log(mg/L)]
| Value | Source or prediction |
|---|---|
| -2.02 |
experimental value |
| -1.0625 |
Tab2.Model_15: PFC solubility in water (Training set) |
M16.logVP: Vapor pressure as log(VP) [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| -1.502 |
experimental value |
| -1.4529 |
Tab2.Model_16: PFC vapor pressure (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8031865 | US EPA CompTox Dashboard |