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: | 368 | |
|---|---|---|
| Name: | Butyltoluene | |
| Description: | In original publication melting point for this compound was denoted as <25C. | |
| Labels: | ||
| CAS: | 27458-20-4 | |
| InChi Code: | InChI=1S/C11H16/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,9H,3-4,8H2,1-2H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -4.06 |
experimental value |
| -4.18 |
Eq.1: General solubility equation (Test set to verify GSE) |