Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 732 | |
|---|---|---|
| Name: | ethyl heptanoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Ethyl heptanoate | |
| Labels: | ||
| CAS: | 106-30-9 | |
| InChi Code: | InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.61 |
experimental value |
| 1.6672 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1040112 | US EPA CompTox Dashboard |