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:PCDF-083
Name:2,3,7,8-Tetrachlorodibenzofuran
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-3.79

experimental value

-3.407

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

Links to External Resources