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-204 | |
|---|---|---|
| Name: | 2,2',3,4,4',5,6,6'-Octachlorobiphenyl | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H2Cl8/c13-3-1-4(14)6(5(15)2-3)7-8(16)10(18)12(20)11(19)9(7)17/h1-2H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -3.81 |
experimental value |
| -3.971 |
Eq.2: GA-PLS model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7074240 | US EPA CompTox Dashboard |