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Environmental fate & pathways

Distribution modelling

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Administrative data

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

Data source

Reference
Reference Type:
other: Level I Fugacity Model
Title:
Test: Prediction of Equilibrium Environmental Distribution Method: Level I Fugacity Model
Author:
Mackay, D.
Year:
1999
Bibliographic source:
Level I model version 2.11, Obtained from the Canadian Environmental Modeling Centre, Trent University, Peterborough, Ontario, Canada.

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Prediction of Equilibrium Environmental Distribution Method: Level I Fugacity Model
Release year:
2 003

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
No additional information available.

Study design

Test substance input data:
Input Parameters for Level I Model:
Property Value Source
Data Temperature (°C) 25 Default environmental temperature
Chemical Type 1 indicates chemical can partition into all environmental compartments
Molecular Mass (g/mol) 61 Calculated from molecular structure
Water Solubility (g/m3) 110,000 Measured value
Vapor Pressure @ 25°C 4750 Pa Measured value
Melting Point ( C) -28.6 Measured value
Henry's Law Constant 2.6(Pa*m3/mole) Calculated by Level I model [2]
Log Kow -0.35 Measured value
Simulated Emission (kg) 100,000 Level I default value [2]
Simulated Environment Default Level I environment [2]

Environmental properties:
No additional information available.

Results and discussion

Percent distribution in media

Air (%):
34.5
Water (%):
65.5
Soil (%):
0.1
Sediment (%):
0.1
Other distribution results:
Soil and sediment values are <0.1%. No additional information availble.

Any other information on results incl. tables

Level I: Predicted equilibrium distribution among air, water, soil, and sediments
Emission Scenario:
  100,000 kg total emissions         

          Percentage and amount distributed to
 Air  Water  Soil  Sediment
 34.5%     65.5%    <0.1%

 <0.1%

 3.4 x 10^4 kg  6.5 x 10^4 kg   26 kg   1 kg
                     
This substance has high water solubility, moderate vapor pressure, and low log Kow.
 In the absence of advective and reactive processes, these physical properties dictate that the substance will be distributed primarily among the air and water compartments at equilibrium. The substance has a low potential for adsorption to soil or sediments, and moderate potential to volatilize from water.

Applicant's summary and conclusion

Conclusions:
This substance has high water solubility, moderate vapor pressure, and low log Kow. In the absence of advective and reactive processes, these physical properties dictate that the substance will be distributed primarily among the air and water compartments at equilibrium. The substance has a low potential for adsorption to soil or sediments, and moderate potential to volatilize from water.
Executive summary:

Mackay Level I predicted equilibrium distribution among air, water, soil, and sediments was examined. This substance has high water solubility, moderate vapor pressure, and low log Kow. In the absence of advective and reactive processes, these physical properties dictate that the substance will be distributed primarily among the air and water compartments at equilibrium. The substance has a low potential for adsorption to soil or sediments, and moderate potential to volatilize from water.