1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich

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:

Level III Fugacity-Based Environmental Equilibrium Partitioning Model, Version 1.01

Author:

Mackay D

Year:

1997

Bibliographic source:

Environmental Modelling Centre, Trent University, Ontario, 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 III

Calculation programme:

Level III simulation using the Mackay Multimedia Environmental Model, version 2.80, released 2004, available at the Canadian Environmental Modelling Centre, Trent University, Canada.

Release year:

2 004

Media:

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

Test material

Test material information

Constituent 1

Reference substance name:

1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich

EC Number:

271-090-9

EC Name:

1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich

Cas Number:

68515-48-0

Molecular formula:

C26 H42 O4

IUPAC Name:

1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich

Study design

Test substance input data:

Parameter Value w/ Units

Molecular Weight 418.62
Temperature 25° C
Log Kow 8.6
Water Solubility 0.000308 g/m3
Vapor Pressure 0.00000681 Pa
Melting Point -48°C

Emissions rates used in the calculation:

Compartment Rate (kg/hr)

Air 1000
Water 1000
Soil 1000

Results and discussion

Percent distribution in media

Air (%):

0.9

Water (%):

8.2

Soil (%):

68.5

Sediment (%):

22.4

Susp. sediment (%):

0

Biota (%):

0

Aerosol (%):

0

Any other information on results incl. tables

The potential environmental distribution of di-isononyl phthalate ester in 4 environmental compartments as calculated using a fugacity model, the Mackay Level III, under the default emission scenario (1000 kg/h into each of air water and soil compartments):

Relative distribution when released (see half-life values above): 
Air                    0.9%
Soil                68.5%
Water              8.2%
Sediment     22.4%
    
    

Level III simulation using the Mackay Multimedia Environmental Model (Mackay, 2001). Mass balances are calculated for the four bulk media of air (gas + aerosol), water (solution + suspended sediment + biota), soil, (solids + air + water), and sediment (solids + pore water). Equilibrium exists within, but not between media. Physical-chemical properties are used to quantify a chemical's behavior in an evaluative environment. Three types of chemicals are treated in this model: chemicals that partition into all media (Type 1), non volatile chemicals (Type 2), and chemicals with zero, or near-zero, solubility (Type 3). The model cannot treat ionizing or speciating substances. The Level III model assumes a simple, evaluative environment with user-defined volumes and densities for the following homogeneous environmental media (or compartments): air, water, soil, sediment, suspended sediment, fish and aerosols.
This model provides a description of a chemical's fate including the important degradation and advection losses and the intermedia transport processes. The distribution of the chemical between media depends on how the chemical enters the system, e.g. to air, to water, or to both. This mode of entry also affects persistence or residence time. 
The rates of intermedia transport are controlled by a series of 12 transport velocities. Reaction half-lives are requested for all 7 media. The advective residence time selected for air also applies to aerosols and the residence time for water applies to suspended sediment and fish. The advective residence time of aerosols, suspended sediment and fish cannot be specified independently of the air and water residence times.

Applicant's summary and conclusion

Conclusions:

The Mackay Level III equilibrium model estimates that DINP will partition largely to the soil compartment (approximately 69%), followed by the sediment (approximately 22%), water (approximately 8%), and air (less than 1%) compartments, based on all available measured data and the model's default emission rates.

Executive summary:

The Mackay Level III equilibrium model estimates that DINP will partition largely to the soil compartment (approximately 69%), followed by the

sediment (approximately 22%), water (approximately 8%), and air (less than 1%) compartments, based on all available measured data and the

model's default emission rates.