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: | 174 | |
|---|---|---|
| Name: | dimethyl benzene-1,2-dicarboxylate | |
| Description: | Original non-IUPAC name was: 1,2-benzenedicarboxylic acid, dimethyl ester | |
| Labels: | Training | |
| CAS: | 131-11-3 | |
| InChi Code: | InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.14 |
experimental value |
| -0.04 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3022455 | US EPA CompTox Dashboard |