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-23 | |
|---|---|---|
| Name: | 1,4,5-trichloronaphtalene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C10H5Cl3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -0.728744678165213 |
Eq.2: GA-PLS model (Test set) |