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-026
Name:2,5,3'-trichlorobiphenyl
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C12H7Cl3/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-1.388

experimental value

-1.446

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

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