10967/121 - QDB Compounds

QsarDB Repository

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-04
Name:1,3-Dichloronaphtalene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H6Cl2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-0.0613290356316343

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