1,2-benzenedicarboxylic acid, di-C10-12-branched alkyl esters

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Study period:

Not applicable

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: The reliability rating is 2 because the data are calculated.

Data source

Reference

Reference 1

Reference Type:

publication

Title:

Evaluating the environmental fate of a variety of types of chemicals using the EQC model

Author:

Mackay D, DiGuardo A, Paterson S and Cowan C

Year:

1996

Bibliographic source:

Environ. Toxicol. Chem. 15: 1627-1637

Reference 2

Reference Type:

other: Mathematical model

Title:

EQC Model ver. 1.01

Author:

Mackay D, DiGuardo A, Paterson S and Cowan C

Year:

1997

Bibliographic source:

Available from the Environmental Centre, Trent University, Canada.

Reference 3

Reference Type:

publication

Title:

Multimedia environmental models: The fugacity approach

Author:

Mackay D

Year:

2001

Bibliographic source:

Second edition, pp. 1-261, Lewis Publisher, Boca Raton, Fl, USA

Materials and methods

Model:

calculation according to Mackay, Level I

Calculation programme:

Level I simulation using the Mackay Multimedia Environmental Model, version 3.0, released 2004, available at the Canadian Environmental Modelling Centre, Trent University, Canada.

Release year:

1 997

Media:

air - biota - sediment(s) - soil - water

Test material

Test material information

Constituent 1

Reference substance name:

Diundecyl phthalate, branched and linear

EC Number:

287-401-6

EC Name:

Diundecyl phthalate, branched and linear

Cas Number:

85507-79-5

IUPAC Name:

diundecyl phthalate

Constituent 2

Reference substance name:

1,2-benzenedicarboxylic acid, di-C10-12-branched alkyl esters, C11-rich

IUPAC Name:

1,2-benzenedicarboxylic acid, di-C10-12-branched alkyl esters, C11-rich

Study design

Test substance input data:

Parameter Value w/ Units

Molecular Weight = 475
Temperature = 25°C
Log Kow = 10.3
Water Solubility = 0.00000441 g/m3
Vapor Pressure = 0.000000497 Pa
Melting Point = -45°C

Results and discussion

Percent distribution in media

Air (%):

0

Water (%):

0

Soil (%):

97.7

Sediment (%):

2.2

Susp. sediment (%):

0.1

Biota (%):

0

Applicant's summary and conclusion

Conclusions:

The Mackay Level I equilibrium model estimates that di-isoundecyl phthalate ester will partition largely to the soil compartment (approximately 98%), followed by the sediment (approximately 2%) compartment.

Executive summary:

The Mackay Level I equilibrium model estimates that di-isoundecyl phthalate ester will partition largely to the soil compartment (approximately 98%), followed by the sediment (approximately 2%) compartment.