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:PBDD-73
Name:1,2,3,4,6,7,8-Heptabromodibenzo-p-dioxin
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12HBr7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-7.6816044946916

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

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