Registration Dossier

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-lives used (based on estimates from Epiwin v4.0):
- 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 (%):
0.4
Water (%):
67.2
Soil (%):
31.9
Sediment (%):
0.6
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Modelling using the standard default patterns to show sensitivity of compartmental emissions 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 (ng/m3)

66

182

<1

16.3

Water concentration (ug/l)

192

112

273

190

Sediment concentration (ug/kg)

5.4

3.1

7.6

5.3

Soil concentration (ug/kg)

9.7

10.5

<0.1

18.6

 

Based on realistic tonnage (assuming 2500tpa emitted, 50% to air, 40% to water, 10% to air):

 

Emission to air (kg/hr)

143

Emission to water (kg/hr)

114

Emission to soil (kg/hr

29

Air concentration (ng/m3)

8.8

Water concentration (ug/l)

17.6

Sediment concentration (ug/kg)

0.49

Soil concentration (ug/kg)

0.62

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 concentrations in the water and sediment compartments are very insensitive to the compartment into which discharges are made.. Discharges to water do not migrate significantly to either the air or soil compartments. Based on worse case assumptions for both emissions and concentrations of use within a region, concentrations of dipropylene glycol ethyl ether in soil and sediment will be less than 1ug/kg and less than 20ug/l in water. Air concentrations are predicted to be negligible.