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-058
Name:2,3,3',5'-Tetrachlorobiphenyl
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H6Cl4/c13-8-4-7(5-9(14)6-8)10-2-1-3-11(15)12(10)16/h1-6H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-2.03309463367577

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

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