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:PBDF-131
Name:1,2,3,4,6,7,8-Heptabromodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12HBr7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-7.28530634117014

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

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