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: | 171 | |
|---|---|---|
| Name: | 2,2,3,3,4,4,5,5,6,7,7,7-dodecafluoro-6-(trifluoromethyl)heptanoic acid | |
| Description: | "Structures were downloaded from PubChem or from SciFinder" "IUPAC names were generated from InChI codes with InstantJChem" | |
| Labels: | ||
| CAS: | 15166-06-0 | |
| InChi Code: | InChI=1S/C8HF15O2/c9-2(10,1(24)25)4(12,13)6(16,17)5(14,15)3(11,7(18,19)20)8(21,22)23/h(H,24,25) |
Properties
logVP: Vapour pressure as logVP [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| -1.89 |
Eq2: Model for perfluorinated chemicals (Testing set (inside of the AD)) |
logCMC: Critical micelle concentration as logCMC [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -1.92 |
experimental value |
| -1.77 |
Eq3a: Model for perfluorinated chemicals (Training set) |
logAqS: Aqueous solubility as logAqS [log(mg/L)]
| Value | Source or prediction |
|---|---|
| 0.69 |
Eq1: Model for perfluorinated chemicals (Testing set (inside of the AD)) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID50562865 | US EPA CompTox Dashboard |