Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
Accepted calculation method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report Date:
2011

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Fugacity-Based Environmental Equilibrium Partitioning Model; Environmetal Modelling Centre; Trent University Peterborough, Ontario, Canada. Version 2.11 (1999).
Release year:
1 999
Media:
other: air-biota-sediment(s)-soil-water-aerosol

Test material

Reference
Name:
Unnamed
Type:
Constituent
Specific details on test material used for the study:
Tetrachlorophthalic acid is the hydrolysis product of tetrachlorophthalic anhydride.
results related to pure substance

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
79.81
Soil (%):
10
Sediment (%):
10.11
Susp. sediment (%):
0.065
Biota (%):
0.006
Aerosol (%):
0

Any other information on results incl. tables

In the model tetrachlorophthalic acid is treated as a type 1 chemical, i.e. the chemical partitions into all environmental media. Estimation is carried at an environmental temperature of 25 °C.

Applicant's summary and conclusion

Conclusions:
The main target compartment for tetrachlorophthalic acid (CAS 632-58-6) is water with 79.81 %, followed by sediment with 10.11 %, soil with 10.0 % and air with 0.0000152 %.
Executive summary:

Calculation of the distribution of tetrachlorophthalic anhydride in the environment according to the Mackay fugacity model, is not suitable because the substance hydrolyses rapidly in water. The Mackay model does not consider degradation reactions, hence the Mackay equilibrium distribution of tetrachlorophthalic anhydride in the environment is not appropriate. Therefore, calculation is carried out with the hydrolysis product tetrachlorophthalic acid (CAS 632-58-6).

The distribution of tetrachlorophthalic acid in a "unit world" was calculated according to the Mackay fugacity model level I based on the physico-chemical properties. The main target compartment for tetrachlorophthalic acid is water with 79.81 %, followed by sediment with 10.11 %, soil with 10.0 %.