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-203
Name:2,3,4,5,6,2',4',5'-Octachlorobiphenyl
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C12H2Cl8/c13-4-2-6(15)5(14)1-3(4)7-8(16)10(18)12(20)11(19)9(7)17/h1-2H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-4.198

experimental value

-4.332

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