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: | PCN-66 | |
|---|---|---|
| Name: | 1,2,3,4,6,7-Hexachloronaphtalene | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H2Cl6/c11-5-1-3-4(2-6(5)12)8(14)10(16)9(15)7(3)13/h1-2H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -2.82 |
experimental value |
| -3.268 |
Eq.2: GA-PLS model (Validation set) |