10967/121 - QDB Compounds

QsarDB Repository

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-036
Name:3,5,3'-trichlorobiphenyl
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C12H7Cl3/c13-10-3-1-2-8(4-10)9-5-11(14)7-12(15)6-9/h1-7H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-1.748

experimental value

-1.658

Eq.2: GA-PLS model (Training set)