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-000
Name:Dibenzofuran
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
0.15

experimental value

-0.004

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

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