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: | 111 | |
|---|---|---|
| Name: | 2,3-Dimethyl-1,3-butadiene | |
| Description: | ||
| Labels: | alkenes | |
| CAS: | 513-81-5 | |
| InChi Code: | InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 11.85 |
experimental value |
| 11.32 |
Eq1: Full model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2022046 | US EPA CompTox Dashboard |