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: | 1042 | |
|---|---|---|
| Name: | 2-butoxyethyl 4-(2,4-dichlorophenoxy)butanoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4-DB butoxyethyl ester | |
| Labels: | ||
| CAS: | 32357-46-3 | |
| InChi Code: | InChI=1S/C16H22Cl2O4/c1-2-3-8-20-10-11-22-16(19)5-4-9-21-15-7-6-13(17)12-14(15)18/h6-7,12H,2-5,8-11H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.7 |
experimental value |
| 3.4951 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5041354 | US EPA CompTox Dashboard |