10967/121 - QDB Compounds

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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-009
Name:2,5-Dichlorobiphenyl
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C12H8Cl2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-0.733

experimental value

-0.685

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

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