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: | 13 | |
|---|---|---|
| Name: | Methyl bromide | |
| Description: | ||
| Labels: | training, Halogenated_alkanes_and_alkenes | |
| CAS: | 74-83-9 | |
| InChi Code: | InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 1.34 |
experimental value |
| 1.47 |
Eq1: Linear correlation with logP (Training set) |
| 1.61 |
Eq2: Non-linear regression model (Training set) |
| 1.3 |
Eq3: Non-linear regression model with correction factors (Training set) |