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-50 | |
|---|---|---|
| Name: | 1,2,3,4,6-Pentachloronaphtalene | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H3Cl5/c11-4-1-2-5-6(3-4)8(13)10(15)9(14)7(5)12/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -2.25 |
experimental value |
| -2.436 |
Eq.2: GA-PLS model (Training set) |