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-052 | |
|---|---|---|
| Name: | 2,5,2',5'-Tetrachlorobiphenyl | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -1.794 |
experimental value |
| -1.877 |
Eq.2: GA-PLS model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3038305 | US EPA CompTox Dashboard |