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: | 41 | |
|---|---|---|
| Name: | pentadecafluorooctanoic acid | |
| Description: | "Structures were downloaded from PubChem or from SciFinder" "IUPAC names were generated from InChI codes with InstantJChem" | |
| 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
logVP: Vapour pressure as logVP [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| -1.5 |
experimental value |
| -0.93 |
Eq2: Model for perfluorinated chemicals (Training set) |
logCMC: Critical micelle concentration as logCMC [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -2.04 |
experimental value |
| -2.01 |
Eq3a: Model for perfluorinated chemicals (Training set) |
logAqS: Aqueous solubility as logAqS [log(mg/L)]
| Value | Source or prediction |
|---|---|
| -2.02 |
experimental value |
| 0.44 |
Eq1: Model for perfluorinated chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8031865 | US EPA CompTox Dashboard |