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-61 | |
|---|---|---|
| Name: | 1,2,4,7,9-Pentabromodibenzo-p-dioxin | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H3Br5O2/c13-4-1-6(15)10-8(2-4)18-11-7(16)3-5(14)9(17)12(11)19-10/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -5.68535263926039 |
Eq.2: GA-PLS model (Test set) |