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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:
calculated 2011-11-16
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: accepted calculation method

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2011
Report date:
2011

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
self-made, equivalent to Level I V. 2.11 with standard settings
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Bis(4-fluorophenyl) ketone
EC Number:
206-466-3
EC Name:
Bis(4-fluorophenyl) ketone
Cas Number:
345-92-6
Molecular formula:
C13H8F2O
IUPAC Name:
bis(4-fluorophenyl)methanone
Constituent 2
Reference substance name:
4,4'-Difluorobenzophenone
IUPAC Name:
4,4'-Difluorobenzophenone
Details on test material:
bis(4-fluorophenyl) ketone as used in studies on input data

Study design

Test substance input data:
Molecular weight: 218.20 g/mol
log Kow: 3.37
Vapour pressure: 0.005 Pa
Water solubility: 0.008757 g/l
Melting point: 108.0 °C
Environmental properties:
Air: 6 000 000 000 m³, 1.206 kg/m³
Water: 7 000 000 m³, 1000 kg/m³
Soil: 45 000 m³, 1500 kg/m³, 2 % OC
Sediment: 21 000 m³, 1300 kg/m³, 5 % OC
Susp. sediment: 35 m³, 1500 kg/m³, 16.7 % OC
Fish: 7 m³, 1000 kg/m³, 5 % fat
Aerosol: 0.12 m³, 1500 kg/m³

Temperature: 20 °C

Results and discussion

Percent distribution in media

Air (%):
3.07
Water (%):
70.067
Soil (%):
13.306
Sediment (%):
13.454
Susp. sediment (%):
0.086
Biota (%):
0.008
Aerosol (%):
0.01

Applicant's summary and conclusion

Conclusions:
According to a Mackay Level I model calculation, the main target compartment for bis(4-fluorophenyl) ketone will be the hydrosphere (70 %), followed by sediment and soil (13 % each).
Executive summary:

According to a Mackay Level I model calculation, the main target compartment for bis(4-fluorophenyl) ketone will be the hydrosphere (70 %), followed by sediment and soil (13 % each).