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: | 39 | |
|---|---|---|
| Name: | hexadecafluoroheptane | |
| Description: | "Structures were downloaded from PubChem or from SciFinder" "IUPAC names were generated from InChI codes with InstantJChem" | |
| Labels: | ||
| CAS: | 335-57-9 | |
| InChi Code: | InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23 |
Properties
logVP: Vapour pressure as logVP [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| 1.88 |
experimental value |
| 1.64 |
Eq2: Model for perfluorinated chemicals (Training set) |
logCMC: Critical micelle concentration as logCMC [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -1.65 |
Eq3a: Model for perfluorinated chemicals (Testing set (inside of the AD)) |
logAqS: Aqueous solubility as logAqS [log(mg/L)]
| Value | Source or prediction |
|---|---|
| -0.72 |
Eq1: Model for perfluorinated chemicals (Testing set (inside of the AD)) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8052019 | US EPA CompTox Dashboard |