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-64 | |
|---|---|---|
| Name: | 1,2,3,4,5,7-Hexabromonaphtalene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C10H2Br6/c11-3-1-4-6(5(12)2-3)8(14)10(16)9(15)7(4)13/h1-2H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -5.01597630201942 |
Eq.2: GA-PLS model (Test set) |