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: | PCDD-41 | |
|---|---|---|
| Name: | 1,2,8,9-Tetrachlorodibenzo-p-dioxin | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Cl4O2/c13-5-1-3-7-11(9(5)15)18-12-8(17-7)4-2-6(14)10(12)16/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -3.42824431842686 |
Eq.2: GA-PLS model (Test set) |