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Environmental fate & pathways

Distribution modelling

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Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method. Original calculation report not available.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
secondary source
Title:
Diesters Category of the Aliphatic Esters Chemicals (Test Plan and Robust Summaries for Substances in the HPV Test Plan)
Author:
US-EPA (American Chemistry Council's Aliphatic Esters Panel)
Year:
2010
Bibliographic source:
High Production Volume (HPV) Chemical Challenge Program (201-16837A and 201-16837B)

Materials and methods

Model:
other: Level III Fugacity Model
Calculation programme:
Calculation based on Level III Fugacity Model contained in Estimation Program Interface Suite™, v3.10. Syracuse Research Corporation, Syracuse, NY, USA
Media:
other: air - water - soil - sediment

Test material

Constituent 1
Chemical structure
Reference substance name:
Diisooctyl adipate
EC Number:
215-553-5
EC Name:
Diisooctyl adipate
Cas Number:
1330-86-5
Molecular formula:
C22H42O4
IUPAC Name:
bis(6-methylheptyl) adipate
Details on test material:
- Name of test material: Adipic acid, diisooctyl ester
- Smiles notation: CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C

Results and discussion

Percent distribution in media

Air (%):
0.272
Water (%):
3.51
Soil (%):
27.3
Sediment (%):
69

Applicant's summary and conclusion