Bhhatarai, B.; Gramatica, P. Prediction of Aqueous Solubility, Vapor Pressure and Critical Micelle Concentration for Aquatic Partitioning of Perfluorinated Chemicals. Environ. Sci. Technol. 2011, 45, 8120–8128.
Compound
| ID: | 172 | |
|---|---|---|
| Name: | 2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentanoic acid | |
| Description: | "Structures were downloaded from PubChem or from SciFinder" "IUPAC names were generated from InChI codes with InstantJChem" | |
| Labels: | ||
| CAS: | 15899-28-2 | |
| InChi Code: | InChI=1S/C6HF11O2/c7-2(8,1(18)19)4(10,11)3(9,5(12,13)14)6(15,16)17/h(H,18,19) |
Properties
logVP: Vapour pressure as logVP [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| -0.9 |
Eq2: Model for perfluorinated chemicals (Testing set (inside of the AD)) |
logCMC: Critical micelle concentration as logCMC [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -1.1 |
experimental value |
| -0.84 |
Eq3a: Model for perfluorinated chemicals (Training set) |
logAqS: Aqueous solubility as logAqS [log(mg/L)]
| Value | Source or prediction |
|---|---|
| 1.82 |
Eq1: Model for perfluorinated chemicals (Testing set (inside of the AD)) |