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: | 593 | |
|---|---|---|
| Name: | n-Heptyl carbamate | |
| Description: | ||
| Labels: | ||
| CAS: | 4248-20-8 | |
| InChi Code: | InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-11-8(9)10/h2-7H2,1H3,(H2,9,10) |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 2.36 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -2.62 |
experimental value |
| -2.38 |
Eq.1: General solubility equation (Test set to verify GSE) |