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-66 | |
|---|---|---|
| Name: | 1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -5.57 |
experimental value |
| -5.158 |
Eq.2: GA-PLS model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8052067 | US EPA CompTox Dashboard |