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: | 101 | |
|---|---|---|
| Name: | 2,2,2-trifluoroacetyl 2,2,2-trifluoroacetate | |
| Description: | "Structures were downloaded from PubChem or from SciFinder" "IUPAC names were generated from InChI codes with InstantJChem" | |
| Labels: | ||
| CAS: | 407-25-0 | |
| InChi Code: | InChI=1S/C4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10 |
Properties
logVP: Vapour pressure as logVP [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| 1.62 |
experimental value |
| 1.86 |
Eq2: Model for perfluorinated chemicals (Training set) |
logCMC: Critical micelle concentration as logCMC [log(mol/L)]
| Value | Source or prediction |
|---|---|
| 0.25 |
Eq3a: Model for perfluorinated chemicals (Testing set (inside of the AD)) |
logAqS: Aqueous solubility as logAqS [log(mg/L)]
| Value | Source or prediction |
|---|---|
| 2.27 |
Eq1: Model for perfluorinated chemicals (Testing set (inside of the AD)) |