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: | 134 | |
|---|---|---|
| Name: | 1-Hexyne | |
| Description: | ||
| Labels: | alkynes | |
| CAS: | 693-02-7 | |
| InChi Code: | InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 14.8 |
experimental value |
| 14.38 |
Eq1: Full model (Training set) |