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: | 948 | |
|---|---|---|
| Name: | 3-Pentanol | |
| Description: | In original publication melting point for this compound was denoted as <25C. | |
| Labels: | ||
| CAS: | 584-02-1 | |
| InChi Code: | InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3 |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 1.21 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -0.24 |
experimental value |
| -0.63 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8060400 | US EPA CompTox Dashboard |