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: | 886 | |
|---|---|---|
| Name: | Methyl butyrate | |
| Description: | Name was changed. Original name was: Methylbutyrate | |
| Labels: | ||
| CAS: | 623-42-7 | |
| InChi Code: | InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3 |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 1.29 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -0.82 |
experimental value |
| -0.74 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5047083 | US EPA CompTox Dashboard |