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: | 351 | |
|---|---|---|
| Name: | t-Amylbenzene | |
| Description: | ||
| Labels: | ||
| CAS: | 2049-95-8 | |
| InChi Code: | InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -4.15 |
experimental value |
| -4 |
Eq.1: General solubility equation (Test set to verify GSE) |