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: | 822 | |
|---|---|---|
| Name: | 2,2,3-Trimethyl-3-pentanol | |
| Description: | ||
| Labels: | ||
| CAS: | 7294-05-5 | |
| InChi Code: | InChI=1S/C8H18O/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -1.27 |
experimental value |
| -2.36 |
Eq.1: General solubility equation (Test set to verify GSE) |