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-22 | |
|---|---|---|
| Name: | 1,3,9-Tribromodibenzo-p-dioxin | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H5Br3O2/c13-6-4-8(15)12-10(5-6)16-9-3-1-2-7(14)11(9)17-12/h1-5H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -3.62494255905831 |
Eq.2: GA-PLS model (Test set) |