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: | 21 | |
|---|---|---|
| Name: | undecafluorohexanoic acid | |
| Description: | "Structures were downloaded from PubChem or from SciFinder" "IUPAC names were generated from InChI codes with InstantJChem" | |
| Labels: | ||
| CAS: | 307-24-4 | |
| InChi Code: | InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19) |
Properties
logVP: Vapour pressure as logVP [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| 0.06 |
Eq2: Model for perfluorinated chemicals (Testing set (inside of the AD)) |
logCMC: Critical micelle concentration as logCMC [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -1.05 |
experimental value |
| -1.06 |
Eq3a: Model for perfluorinated chemicals (Training set) |
logAqS: Aqueous solubility as logAqS [log(mg/L)]
| Value | Source or prediction |
|---|---|
| 1.64 |
Eq1: Model for perfluorinated chemicals (Testing set (inside of the AD)) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3031862 | US EPA CompTox Dashboard |