Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.
Compound
| ID: | 104 | |
|---|---|---|
| Name: | 3,4,4'-Trichlorobiphenyl | |
| Description: | ||
| Labels: | ||
| CAS: | 38444-90-5 | |
| InChi Code: | InChI=1S/C12H7Cl3/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7H |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 5.9 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -7.06 |
experimental value |
| -6.18 |
Eq.1: General solubility equation (Test set to verify GSE) |