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-015
Name:4,4'-Dichlorobiphenyl
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-1.139

experimental value

-1.087

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

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