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: | 300 | |
|---|---|---|
| Name: | Pentanochlor | |
| Description: | ||
| Labels: | training, Acetanilides | |
| CAS: | 2307-68-8 | |
| InChi Code: | InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.76 |
experimental value |
| 3.38 |
Eq1: Linear correlation with logP (Training set) |
| 3.29 |
Eq2: Non-linear regression model (Training set) |
| 3.29 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3042265 | US EPA CompTox Dashboard |