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:PCN-35
Name:1,2,4,8-Tetrachloronaphtalene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H4Cl4/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h1-4H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-1.47702590064978

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