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-117 | |
|---|---|---|
| Name: | 1,2,3,4,6,9-Hexachlorodibenzofuran | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H2Cl6O/c13-3-1-2-4(14)11-5(3)6-7(15)8(16)9(17)10(18)12(6)19-11/h1-2H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -4.22321236622674 |
Eq.2: GA-PLS model (Test set) |