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-001
Name:2-Chlorobiphenyl
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
0.28

experimental value

0.121

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

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