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-132
Name:1,2,3,4,6,7,9-Heptachlorodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12HCl7O/c13-2-1-3(14)6(15)11-4(2)5-7(16)8(17)9(18)10(19)12(5)20-11/h1H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-5.01686912104774

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

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