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: | 765 | |
|---|---|---|
| Name: | 6-Methyl-2,4-heptanedione | |
| Description: | Name was changed from 6-Methyl-2,4-heptadione to 6-Methyl-2,4-heptanedione | |
| Labels: | ||
| CAS: | 3002-23-1 | |
| InChi Code: | InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -1.6 |
experimental value |
| -0.5 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5062768 | US EPA CompTox Dashboard |