Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.
Compound
| ID: | 222 | |
|---|---|---|
| Name: | Ethyl carbethoxymethyl phthalate | |
| Description: | ||
| Labels: | training, Benzoates | |
| CAS: | 84-72-0 | |
| InChi Code: | InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.54 |
experimental value |
| 2.26 |
Eq1: Linear correlation with logP (Training set) |
| 2.20 |
Eq2: Non-linear regression model (Training set) |
| 2.2 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3024100 | US EPA CompTox Dashboard |