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: | PBN-59 | |
|---|---|---|
| Name: | 1,2,4,5,8-Pentabromonaphtalene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C10H3Br5/c11-4-1-2-5(12)9-8(4)6(13)3-7(14)10(9)15/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -3.87138013769032 |
Eq.2: GA-PLS model (Test set) |