Wang, Y.-n.; Chen, J.; Li, X.; Zhang, S.; Qiao, X. Estimation of Aqueous-Phase Reaction Rate Constants of Hydroxyl Radical with Phenols, Alkanes and Alcohols. QSAR Comb. Sci. 2009, 28, 1309–1316.
Compound
| ID: | 22 | |
|---|---|---|
| Name: | n-Butane | |
| Description: | ||
| Labels: | ||
| CAS: | 106-97-8 | |
| InChi Code: | InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3 |
Properties
logkOH: aqueous-phase hydroxyl radical reaction rate constant as logkOH [L/mol.s]
| Value | Source or prediction |
|---|---|
| 9.66 |
experimental value |
| 9.57 |
Eq.6: Model for phenols, alkenes and alcohols (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024665 | US EPA CompTox Dashboard |