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-13 | |
|---|---|---|
| Name: | 1,2,3-trichloronaphtalene | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H5Cl3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -1.15 |
experimental value |
| -0.839 |
Eq.2: GA-PLS model (Training set) |