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: | PCDF-114 | |
|---|---|---|
| Name: | 2,3,4,7,8-Pentachlorodibenzofuran | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -4.71 |
experimental value |
| -4.069 |
Eq.2: GA-PLS model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7030066 | US EPA CompTox Dashboard |