Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 443 | |
|---|---|---|
| Name: | benzene-1,2-dicarboxylic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phthalic acid | |
| Labels: | ||
| CAS: | 88-99-3 | |
| InChi Code: | InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.07 |
experimental value |
| 1.3135 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -1.59781 |
experimental value |
| -1.5263 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8021484 | US EPA CompTox Dashboard |