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:PCN-26
Name:2,3,6-trichloronaphtalene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H5Cl3/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h1-5H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-1.08186530027869

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