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: | 666 | |
|---|---|---|
| Name: | Dibenzo[a,h]pyrene-7,14-dione | |
| Description: | ||
| Labels: | validation, Other_compounds | |
| CAS: | 128-66-5 | |
| InChi Code: | InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 4.28 |
experimental value |
| 3.69 |
Eq1: Linear correlation with logP (Validation set) |
| 3.65 |
Eq2: Non-linear regression model (Validation set) |
| 3.65 |
Eq3: Non-linear regression model with correction factors (Validation set) |