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-06
Name:1,5-Dichloronaphtalene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H6Cl2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
0.0390933244097709

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