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-57 | |
|---|---|---|
| Name: | 1,2,4,6,7-Pentabromodibenzo-p-dioxin | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H3Br5O2/c13-4-1-2-7-11(8(4)16)19-10-6(15)3-5(14)9(17)12(10)18-7/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -5.60679845182118 |
Eq.2: GA-PLS model (Test set) |