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-57 | |
|---|---|---|
| Name: | 1,2,4,5,6-Pentabromonaphtalene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C10H3Br5/c11-5-2-1-4-8(10(5)15)6(12)3-7(13)9(4)14/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -3.89914433150291 |
Eq.2: GA-PLS model (Test set) |