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-27 | |
|---|---|---|
| Name: | 1,2,3,4-Tetrachlorodibenzo-p-dioxin | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Cl4O2/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -3.72 |
experimental value |
| -3.562 |
Eq.2: GA-PLS model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7074030 | US EPA CompTox Dashboard |