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: | 859 | |
|---|---|---|
| Name: | trans-3-Pentenenitrile | |
| Description: | Name was changed from 3-Pentenenitrile to trans-3-Pentenenitrile | |
| Labels: | ||
| CAS: | 16529-66-1 | |
| InChi Code: | InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -0.96 |
experimental value |
| -0.32 |
Eq.1: General solubility equation (Test set to verify GSE) |