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-14
Name:1,2,4-trichloronaphtalene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H5Cl3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5H
Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-0.779035153260912

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