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:PBN-48
Name:2,3,6,7-Tetrabromonaphtalene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H4Br4/c11-7-1-5-2-9(13)10(14)4-6(5)3-8(7)12/h1-4H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-3.19806194630219

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