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: | 438 | |
|---|---|---|
| Name: | Methapyrilene | |
| Description: | ||
| Labels: | training, Aromatic_Heterocycles | |
| CAS: | 91-80-5 | |
| InChi Code: | InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.87 |
experimental value |
| 2.51 |
Eq1: Linear correlation with logP (Training set) |
| 2.41 |
Eq2: Non-linear regression model (Training set) |
| 2.41 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2023278 | US EPA CompTox Dashboard |