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: | 74 | |
|---|---|---|
| Name: | (2E)-octafluorobut-2-ene | |
| Description: | "Structures were downloaded from PubChem or from SciFinder" "IUPAC names were generated from InChI codes with InstantJChem" | |
| Labels: | ||
| CAS: | 360-89-4 | |
| InChi Code: | InChI=1S/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+ |
Properties
logVP: Vapour pressure as logVP [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| 3.3 |
experimental value |
| 3.14 |
Eq2: Model for perfluorinated chemicals (Training set) |
logCMC: Critical micelle concentration as logCMC [log(mol/L)]
| Value | Source or prediction |
|---|---|
| 0.31 |
Eq3a: Model for perfluorinated chemicals (Testing set (inside of the AD)) |
logAqS: Aqueous solubility as logAqS [log(mg/L)]
| Value | Source or prediction |
|---|---|
| 1.9 |
Eq1: Model for perfluorinated chemicals (Testing set (inside of the AD)) |