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Diss Factsheets

Administrative data

distribution modelling
Type of information:
calculation (if not (Q)SAR)
Migrated phrase: estimated by calculation
Adequacy of study:
key study
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method

Data source

Reference Type:

Materials and methods

calculation according to Mackay, Level III
Calculation programme:
Level III Model, version 2.80.1, of The Canadian Environmental Modeling Centre, Tent University, Peterborough, Ontario, Canada
Release year:
2 004
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Details on test material:
Not applicable (modeled substance)

Study design

Test substance input data:
Molecular Wt. = 309 g/mole (weighted average of NOM components)
Data Temperature = 20 °C
Water Solubility = 0.3 mg/L
Vapor Pressure = 0.00395 Pa
log Kow = 5.6 (weighted average of calculated values for NOM components)
Melting Point = 40 °C (upper limit of melting range)
Reaction Half-lives (hrs.) in:
Air = 20 hrs. (indirect photolysis with hydroxl radical)
Water = 360 hrs. (derived from ready biodegradability)
Soil = 7200 hrs. (derived from ready biodegradability)
Sediment = 72000 hrs. (derived from ready biodegradability)
Suspended matter, fish, aerosols = negligible
Environmental properties:
Default parameters for "EQC" environment

Results and discussion

Any other information on results incl. tables

Summary of predicted environmental distribution of NOM according to the Level III Fugacity Model:


Simulated emission:

Predicted Distribution (%) to:

1,000 kg/hr

to Air

1,000 kg/hr

to Water

1,000 kg/hr

to Soil

1,000 kg/hr (each) to air, water, soil


10.1 %

< 0.1%

< 0.1 %

0.1 %


1.4 %

4.9 %

< 0.1 %

1.8 %


60.7 %

0.2 %

99.9 %

63.2 %


27.8 %

94.9 %

0.1 %

34.9 %


Applicant's summary and conclusion

Based on these model outputs, the NOM components would be expected to reside primarily in soil (if emitted to air or soil) and sediment (if emitted to surface water). As expected from the low vapour pressure, the NOM components are predicted to have low affinity for the atmospheric compartment. If emitted to the atmosphere, the substances would be transferred to surface water and soils via adsorption to and deposition of particles/aerosols. If emitted to water, the Level III model predicts that the NOM substance will be transferred primarily to associated sediments. However, because the NOM components are insoluble in, and less dense than water, the fraction associated with sediments will be much less than predicted. Instead, the substance will tend to float on the water surfaces, where it will be rapidly biodegraded.