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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:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Recognised method of fugacity calculations
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
publication
Title:
Multimedia Environmental models, the fugacity approach-second edition
Author:
Mackay D
Year:
2001
Bibliographic source:
Lewis, Boca Raton

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
CEMC model, Trent University, 2004, version 2.80.1
Release year:
2 004
Media:
other: all

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent

Study design

Test substance input data:
- Parameters as per physicochemical summary data, chaper 4
- Reaction half-life estimates for
- Air: 7.5hr
- Water: 240hr
- Soil: 240hr
- Sediment: 1500hr
- Suspended sediment: 240hr
- Aerosols: 7.5hr
- Aquatic biota: 240hr
Environmental properties:
REACH guidance Regional compartment parameters used. No advection assumed.

Results and discussion

Percent distribution in media

Air (%):
24.3
Water (%):
75.6
Soil (%):
0
Sediment (%):
0
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Modelling carried out using arbitrary volumes and splits between compartments to illustrate sensitivities of emissions between compartments to eventual fate.

Emission to air (kg/hr)

1000

3000

0

0

Emission to water (kg/hr)

1000

0

3000

0

Emission to soil (kg/hr

1000

0

0

3000

Air concentration (ug/m3)

0.45

0.48

0.39

0.47

Water concentration (ug/l)

14.0

0.0024

41.3

0.584

Sediment concentration (ug/kg)

1.46

<0.001

4.31

0.061

Soil concentration (ug/kg)

0.501

<0.001

<<0.001

1.5

Applicant's summary and conclusion

Executive summary:

Mackay fugacity modelling (level 3) indicates that the concentration found in the atmosphere will be independent of what compartments emissions are directed to. Emissions to air do not find their way to the water or soil compartments. Only emissions direct to soil remain in the soil compartment. Only emissions to water and to soil find their way to the water compartment. It would therefore be expected that exposure to soil would be minimal except for (highly unlikely) direct emissions.