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-00 | |
|---|---|---|
| Name: | Dibenzo-p-dioxin | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -0.29 |
experimental value |
| -0.695 |
Eq.2: GA-PLS model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8020410 | US EPA CompTox Dashboard |