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-018 | |
|---|---|---|
| Name: | 2,5,2'-trichlorobiphenyl | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -1.108 |
experimental value |
| -1.127 |
Eq.2: GA-PLS model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6073491 | US EPA CompTox Dashboard |