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Diss Factsheets

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
Study period:
2009
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data based on EQC Model calculations (Lev el I) Mackay fugacity model.

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2009
Report date:
2009

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
EQC Model v. 1.0, Level I (Mackay)
Release year:
2 003
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
1,3,5-tris(oxiranylmethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
EC Number:
219-514-3
EC Name:
1,3,5-tris(oxiranylmethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Cas Number:
2451-62-9
Molecular formula:
C12H15N3O6
IUPAC Name:
tris[(oxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
Details on test material:
not applicable

Study design

Test substance input data:
Molecular mass: 297
Melting point: 95.0 °c
Vapour pressure: 7.2E-06
Solubility in water: 9.0 gm/l
Henry's Law constant: 0.003
Log Pow: -0.8
Environmental properties:
25°C

Results and discussion

Percent distribution in media

Air (%):
0.01
Water (%):
100
Soil (%):
0.01
Sediment (%):
0
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0
Other distribution results:
Based on the percentage of distribution in the fugacity model the concentrations are as follows, assuming a total mass of substnace =100'000 kg:
Air: 0.05 ng/m3
Soil: 6.5E-04 ng/g
Water: 500 ng/l
Sediment: 0.0013 ng/g
Suspended Sediment: 0.0065 ng/g
Biota: 0.00396 ng/g

Applicant's summary and conclusion

Conclusions:
Based on the Level I fugycity model of Mackay TGIC is mainly found in water, but minimally in sediment, soil, biota and air.. Thus, special attention has to be given to release in to water.
Executive summary:

Based on the Level I fugycity model of Mackay TGIC is mainly found in water, but minimally in sediment, soil, biota and air.. Thus, special attention has to be given to release in to water. The values of the fugacity model (Level I) are

 Medium  Percentage  concentration  
 Air  0.00504 %  0.05 ng/m3  
 Soil  0.014 %  0.00065 ng/g  
 Water  100 %  500 ng/l.  
 Sediment  0.000312 %  0.0013 ng/g  
 Biota  0.000000792 %  0.00396 ng/g  
 Suspended Sediment  0.00000975 %  0.0065 ng/g