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: | 25 | |
|---|---|---|
| Name: | 2-Methyl-1,3-butadiene | |
| Description: | ||
| Labels: | alkenes | |
| CAS: | 78-79-5 | |
| InChi Code: | InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 12.15 |
experimental value |
| 11.48 |
Eq1: Full model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020761 | US EPA CompTox Dashboard |