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-013
Name:3,4'-Dichlorobiphenyl
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C12H8Cl2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-1.08

experimental value

-0.956

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