Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.
Compound
| ID: | 148 | |
|---|---|---|
| Name: | 1-chloro-2-(2-chloroethoxymethoxy)ethane | |
| Description: | Original non-IUPAC name was: ethane, 1,1'-methylenebis(oxy)bis(2-chloro- | |
| Labels: | Training | |
| CAS: | 111-91-1 | |
| InChi Code: | InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.55 |
experimental value |
| -0.25 |
Eq1: Full Model (Training set) |