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: | 852 | |
|---|---|---|
| Name: | Isobutyl formate | |
| Description: | Name was changed. Original name was: Isobutylformate | |
| Labels: | ||
| CAS: | 542-55-2 | |
| InChi Code: | InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -1.01 |
experimental value |
| -0.69 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7060257 | US EPA CompTox Dashboard |