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: | 144 | |
|---|---|---|
| Name: | trans-1,3-Pentadiene | |
| Description: | ||
| Labels: | alkenes | |
| CAS: | 2004-70-8 | |
| InChi Code: | InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+ |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 11.8 |
experimental value |
| 11.21 |
Eq1: Full model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID50858710 | US EPA CompTox Dashboard |