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: | 45 | |
|---|---|---|
| Name: | Hexadecane | |
| Description: | ||
| Labels: | ||
| CAS: | 544-76-3 | |
| InChi Code: | InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -8.4 |
experimental value |
| -8.66 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0027195 | US EPA CompTox Dashboard |