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: | 2001 | |
|---|---|---|
| Name: | heptafluorobutanoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: perfluorobutyric acid | |
| Labels: | ||
| CAS: | 375-22-4 | |
| InChi Code: | InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13) |
Properties
M16.logVP: Vapor pressure as log(VP) [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| 0.805 |
experimental value |
| 0.1807 |
Tab2.Model_16: PFC vapor pressure (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4059916 | US EPA CompTox Dashboard |