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: | 444 | |
|---|---|---|
| Name: | 4-n-Butylbenzotriazole | |
| Description: | ||
| Labels: | training, Aromatic_Heterocycles | |
| CAS: | 708-43-0 | |
| InChi Code: | InChI=1S/C10H13N3/c1-2-3-8-13-10-7-5-4-6-9(10)11-12-13/h4-7H,2-3,8H2,1H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.16 |
experimental value |
| 2.41 |
Eq1: Linear correlation with logP (Training set) |
| 2.33 |
Eq2: Non-linear regression model (Training set) |
| 2.33 |
Eq3: Non-linear regression model with correction factors (Training set) |