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-061
Name:1,2,7,8-Tetrachlorodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H4Cl4O/c13-6-1-2-9-11(12(6)16)5-3-7(14)8(15)4-10(5)17-9/h1-4H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-3.01683910842916

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

Links to External Resources