10967/121 - QDB Compounds

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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-130
Name:2,3,4,6,7,8-Hexachlorodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-4.79642269962779

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

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