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-029
Name:2,4,5-trichlorobiphenyl
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C12H7Cl3/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h1-7H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-1.35

experimental value

-1.486

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

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