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-28
Name:1,2,3,5-Tetrabromonaphtalene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H4Br4/c11-7-3-1-2-5-6(7)4-8(12)10(14)9(5)13/h1-4H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-2.7292352926853

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