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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

Study design

Test substance input data:
- Parameters as per physicochemical summary data, chaper 4
- Reaction half-life estimates for
- Air: 11.8hr
- Water: 360hr
- Soil: 720hr
- Sediment: 3240hr
- Suspended sediment: 360hr
- Aerosols: 11.8hr
- Aquatic biota: 240hr
Standard default emission scenarios used to demonstrate sensitivity of emission compartment.
Environmental properties:
TGD defaults

Results and discussion

Percent distribution in media

Air (%):
1.23
Water (%):
63.4
Soil (%):
34.9
Sediment (%):
0.49
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

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)

.29

.74

0.02

0.11

Water concentration (ug/l)

164

36.7

278

177

Sediment concentration (ug/kg)

3.2

0.71

5.4

3.4

Soil concentration (ug/kg)

3.2

1.6

<0.1

8.1

Applicant's summary and conclusion

Executive summary:

Mackay fugacity modelling (level 3) indicates that, taking into account degradation and using model inflow parameters all compartments exhibit some degree of sensitivity according to what compartments receive emissions. Emissions to water remain primarily in this compartment, whereas emissions to air and soil partition to all compartments.