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: | 533 | |
|---|---|---|
| Name: | 2-Methyl-1-pentene | |
| Description: | ||
| Labels: | ||
| CAS: | 763-29-1 | |
| InChi Code: | InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -3.03 |
experimental value |
| -2.75 |
Eq.1: General solubility equation (Test set to verify GSE) |