Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.
Compound
| ID: | 394 | |
|---|---|---|
| Name: | sec-Butylbenzene | |
| Description: | Name was changed from 2-Butylbenzene to sec-Butylbenzene | |
| Labels: | ||
| CAS: | 135-98-8 | |
| InChi Code: | InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -3.89 |
experimental value |
| -3.6 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2022333 | US EPA CompTox Dashboard |