Papa, E.; Gramatica, P. Externally validated QSPR modelling of VOC tropospheric oxidation by NO3 radicals. SAR QSAR Environ. Res. 2008, 19, 655–668.
Compound
| ID: | 131 | |
|---|---|---|
| Name: | 1,4-Cyclohexadiene | |
| Description: | ||
| Labels: | alkenes | |
| CAS: | 628-41-1 | |
| InChi Code: | InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 12.18 |
experimental value |
| 11.54 |
Eq1: Full model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0060854 | US EPA CompTox Dashboard |