Registration Dossier

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: Estimated by calculation

Data source

Reference
Reference Type:
other: Model
Title:
Unnamed
Year:
2002
Report Date:
2002

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Level III
Fugacity-Based Multimedia Environmental Model
Copyright Trent University - 2002
Version 2.70
Released March 2002

Release year:
2 002
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Percent distribution in media

Air (%):
0.017
Water (%):
2.45
Soil (%):
70.3
Sediment (%):
27.3
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Model Input values:-

CHEMICAL PROPERTIES
Chemical Type 1
Molar Mass 206.33 g/mol
Data Temperature 25 C
LogKow 4.5
Vapour Pressure 1.43 Pa
The Vapour Pressure is that of the chemical in the state (solid or liquid) corresponding to the data temperature.
Melting Point 37 C
Fugacity Ratio 0.76087571
Sub-cooled Liquid Vapour Pressure 1.879413 Pa
Water Solubility 4.11 g/m³
Henry's Law Constant 71.78879 Pa.m³/mol
Reaction Half-life hours days
 In Air 7.84 0.326667
 In Water 1700 70.83334
 In Soil 17000 708.3333
 In Sediment 55000 2291.667
 In Suspended Particles 1700 70.83334
 In Fish 1700 70.83334
 In Aerosol 170 7.083333

The following emission rates were included in the model:-

Emission Rate of Chemical kg/h
 Into Air 1000
 Into Water 1000
 Into Soil 1000
 Into Sediment 1000

PHASE PROPERTIES
Z Value Amount Amount Amount Conc. Conc. Conc.
mol/m³.Pa kg mol % mol/m³ g/m³ ug/g
Air: Bulk 4.03E-04 3959.683 19191.02 0.017086 3.22E-11 6.64E-09 5.60E-06
      Air Vapour 4.03E-04 3959.43 19189.8 1.71E-02 3.22E-11 6.64E-09 5.60E-06
      Aerosol 1287.906 0.252808 1.225263 1.09E-06 1.03E-04 2.12E-02 8.84E-03
Water: Bulk 1.44E-02 568585.8 2755711 2.453467 1.08E-05 2.24E-03 2.24E-03
      Water 1.39E-02 550616.5 2668621 2.375929 1.05E-05 2.17E-03 2.17E-03
      Sus. Particles 86.6899 17133.53 83039.47 7.39E-02 6.54E-02 13.49097 5.621238
      Fish 21.14388 835.7821 4050.706 3.61E-03 1.59E-02 3.290481 3.290481
Soil: Bulk 4.338754 16286044 78932020 70.27484 2.77E-03 0.57144 0.3809
      Air 4.03E-04 302.8557 1467.822 1.31E-03 2.58E-07 5.31E-05 4.48E-02
      Water 1.39E-02 15686.11 76024.37 6.77E-02 8.89E-06 1.83E-03 1.83E-03
      Solid 8.668989 16270055 78854529 70.20585 5.53E-03 1.141758 0.475733
Sediment: Bulk 3.47874 6316196 30612109 27.25461 0.24104 49.73383 38.85455
      Water 1.39E-02 20233.32 98062.89 8.73E-02 9.65E-04 0.199147 0.199147
      Solid 17.33798 6295963 30514046 27.1673 1.20134 247.8726 103.2802

Applicant's summary and conclusion