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: | 9 | |
|---|---|---|
| Name: | (trifluoromethyl)benzene | |
| Description: | "Structures were downloaded from PubChem or from SciFinder" "IUPAC names were generated from InChI codes with InstantJChem" | |
| Labels: | ||
| CAS: | 98-08-8 | |
| InChi Code: | InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H |
Properties
logVP: Vapour pressure as logVP [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| 1.59 |
experimental value |
| 2.24 |
Eq2: Model for perfluorinated chemicals (Training set) |
logCMC: Critical micelle concentration as logCMC [log(mol/L)]
| Value | Source or prediction |
|---|---|
| 0.5 |
Eq3a: Model for perfluorinated chemicals (Testing set (outside of the AD)) |
logAqS: Aqueous solubility as logAqS [log(mg/L)]
| Value | Source or prediction |
|---|---|
| 2.15 |
experimental value |
| 2.28 |
Eq1: Model for perfluorinated chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2024589 | US EPA CompTox Dashboard |