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: | 719 | |
|---|---|---|
| Name: | n-Hexyl carbamate | |
| Description: | ||
| Labels: | ||
| CAS: | 2114-20-7 | |
| InChi Code: | InChI=1S/C7H15NO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3,(H2,8,9) |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 1.85 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -1.92 |
experimental value |
| -1.81 |
Eq.1: General solubility equation (Test set to verify GSE) |