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: | 85 | |
|---|---|---|
| Name: | heptadecafluorononanoic acid | |
| Description: | "Structures were downloaded from PubChem or from SciFinder" "IUPAC names were generated from InChI codes with InstantJChem" | |
| Labels: | ||
| CAS: | 375-95-1 | |
| InChi Code: | InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28) |
Properties
logVP: Vapour pressure as logVP [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| -2.01 |
experimental value |
| -1.45 |
Eq2: Model for perfluorinated chemicals (Training set) |
logCMC: Critical micelle concentration as logCMC [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -2.46 |
Eq3a: Model for perfluorinated chemicals (Testing set (inside of the AD)) |
logAqS: Aqueous solubility as logAqS [log(mg/L)]
| Value | Source or prediction |
|---|---|
| -0.28 |
Eq1: Model for perfluorinated chemicals (Testing set (inside of the AD)) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8031863 | US EPA CompTox Dashboard |