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: | 154 | |
|---|---|---|
| Name: | trans-trans-2,4-Hexadiene | |
| Description: | ||
| Labels: | alkenes | |
| CAS: | 5194-51-4 | |
| InChi Code: | InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4+ |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 10.8 |
experimental value |
| 10.72 |
Eq1: Full model (Training set) |