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: | 114 | |
|---|---|---|
| Name: | 1,3,5-Cycloheptatriene | |
| Description: | ||
| Labels: | alkenes | |
| CAS: | 544-25-2 | |
| InChi Code: | InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 11.92 |
experimental value |
| 10.77 |
Eq1: Full model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5073909 | US EPA CompTox Dashboard |