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: | 780 | |
|---|---|---|
| Name: | Isopentyl formate | |
| Description: | ||
| Labels: | ||
| CAS: | 110-45-2 | |
| InChi Code: | InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -1.52 |
experimental value |
| -1.22 |
Eq.1: General solubility equation (Test set to verify GSE) |