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: | PCDD-46 | |
|---|---|---|
| Name: | 1,4,6,9-Tetrachlorodibenzo-p-dioxin | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Cl4O2/c13-5-1-2-6(14)10-9(5)17-11-7(15)3-4-8(16)12(11)18-10/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -3.12007920040863 |
Eq.2: GA-PLS model (Test set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1074044 | US EPA CompTox Dashboard |