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: | 869 | |
|---|---|---|
| Name: | 3-Propyl-2,4-pentanedione | |
| Description: | Name was changed from 3-Propyl-2,4-pentadione to 3-Propyl-2,4-pentanedione | |
| Labels: | ||
| CAS: | 1540-35-8 | |
| InChi Code: | InChI=1S/C8H14O2/c1-4-5-8(6(2)9)7(3)10/h8H,4-5H2,1-3H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -0.88 |
experimental value |
| -0.63 |
Eq.1: General solubility equation (Test set to verify GSE) |