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-004
Name:2,2'-Dichlorodiphenylether
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H8Cl2O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-0.720340403651569

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