Registration Dossier

Environmental fate & pathways

Distribution modelling

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Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
not applicable
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
Details on test material:
not applicable

Study design

Test substance input data:
- Parameters as per physicochemical summary data, chapter 4.
- Reaction half-life estimates for
- Air: 2.5hr (from AOPWIN)
- Water: 600hr (Based on biodegradation data)
- Soil: 1500hr
- Sediment: 1500hr
- Suspended sediment: 1500hr
- Aerosols: 600hr
- Aquatic biota: 24hr
Assumed emissions: Four simulations as per results below.
Environmental properties:
- Environmental compartment sizes and character as per the TGD

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
61.6
Soil (%):
37.9
Sediment (%):
0.5
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Predictions for various emission scenarios

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 (ng/m3)

0.703

2.1

0

0.005

Water concentration (ug/l)

340

317

386

318

Soil concentration (ug/kg)

18.6

27

0

28.5

Sediment concentration  (ug/kg)

17

16

19

16

Applicant's summary and conclusion

Conclusions:
The concentrations in water and sediment are effectively independent of the compartment into which the emissions occur. Concentrations in air and soil depend on what compartment emissions occured to and are quite variable. Only emissions to air contribute to atmospheric concentrations whilst deposition in soil comes approximately 50/50 from direct emissions to soil and indirectly from emissions to air.