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-48 | |
|---|---|---|
| Name: | 2,3,7,8-Tetrachlorodibenzo-p-dioxin | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -3.93 |
experimental value |
| -4.005 |
Eq.2: GA-PLS model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021315 | US EPA CompTox Dashboard |