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: | 772 | |
|---|---|---|
| Name: | 2,4-Octanedione | |
| Description: | Name was changed from 2,4-Octadione to 2,4-Octanedione | |
| Labels: | ||
| CAS: | 14090-87-0 | |
| InChi Code: | InChI=1S/C8H14O2/c1-3-4-5-8(10)6-7(2)9/h3-6H2,1-2H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -1.56 |
experimental value |
| -0.63 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID30161491 | US EPA CompTox Dashboard |