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-194
Name:2,2',3,3',4,4',5,5'-Octachlorobiphenyl (PCB-194)
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H2Cl8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-4.67692055980559

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

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