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: | 645 | |
|---|---|---|
| Name: | Isopropyl tert-butyl ether | |
| Description: | ||
| Labels: | ||
| CAS: | 17348-59-3 | |
| InChi Code: | InChI=1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3 |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 1.52 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -2.37 |
experimental value |
| -0.99 |
Eq.1: General solubility equation (Test set to verify GSE) |