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: | 346 | |
|---|---|---|
| Name: | 1-Ethylnaphthalene | |
| Description: | ||
| Labels: | ||
| CAS: | 1127-76-0 | |
| InChi Code: | InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3 |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 4.39 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -4.16 |
experimental value |
| -3.84 |
Eq.1: General solubility equation (Test set to verify GSE) |