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: | 922 | |
|---|---|---|
| Name: | 2-Ethyl-1,3-hexanediol | |
| Description: | ||
| Labels: | ||
| CAS: | 94-96-2 | |
| InChi Code: | InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -0.54 |
experimental value |
| -0.76 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4025292 | US EPA CompTox Dashboard |