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: | 683 | |
|---|---|---|
| Name: | 1,4-Pentadiene | |
| Description: | ||
| Labels: | ||
| CAS: | 591-93-5 | |
| InChi Code: | InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2 |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 2.47 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -2.09 |
experimental value |
| -1.87 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8060456 | US EPA CompTox Dashboard |