10967/121 - QDB Compounds

QsarDB Repository

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:PBDE-209
Name:Decabromodiphenylether
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-8.45059802906962

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

Links to External Resources