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:PCDE-008
Name:2,4'-Dichlorodiphenylether
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C12H8Cl2O/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-1.03

experimental value

-1.127

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