Gajewicz, A.; Haranczyk, M.; Puzyn, T. Predicting logarithmic values of the subcooled liquid vapor pressure of halogenated persistent organic pollutants with QSPR: How different are chlorinated and brominated congeners?. Atmos. Environ. 2010, 44, 11, 1428–1436.
Compound
| ID: | PCB-207 | |
|---|---|---|
| Name: | 2,2',3,3',4,4',5,6,6'-Nonachlorobiphenyl | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C12HCl9/c13-2-1-3(14)6(15)7(16)4(2)5-8(17)10(19)12(21)11(20)9(5)18/h1H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -4.496 |
experimental value |
| -4.583 |
Eq.2: GA-PLS model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6074172 | US EPA CompTox Dashboard |