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: | 733 | |
|---|---|---|
| Name: | ethyl octanoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Ethyl octanoate | |
| Labels: | ||
| CAS: | 106-32-1 | |
| InChi Code: | InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.02 |
experimental value |
| 1.8379 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8051542 | US EPA CompTox Dashboard |