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-71 | |
|---|---|---|
| Name: | 1,2,4,5,6,8-Hexachloronaphtalene | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H2Cl6/c11-3-1-5(13)9(15)8-4(12)2-6(14)10(16)7(3)8/h1-2H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -2.92 |
experimental value |
| -3.107 |
Eq.2: GA-PLS model (Training set) |