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: | 105 | |
|---|---|---|
| Name: | 1,4-Benzodioxane | |
| Description: | ||
| Labels: | ethers | |
| CAS: | 493-09-4 | |
| InChi Code: | InChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2 |
Properties
pkNO3: Degradation by NO3 radicals as -logkNO3 [log(s molecule/cm3)] i
| Value | Source or prediction |
|---|---|
| 15.22 |
experimental value |
| 15.31 |
Eq1: Full model (Training set) |