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: | 642 | |
|---|---|---|
| Name: | Phthalonitrile | |
| Description: | ||
| Labels: | ||
| CAS: | 91-15-6 | |
| InChi Code: | InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 0.99 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -2.38 |
experimental value |
| -1.65 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8029604 | US EPA CompTox Dashboard |