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Diss Factsheets

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Remarks:
estimated by calculation
Adequacy of study:
key study
Study period:
up to 2010
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: QSAR calculation, acceptable with restrictions
Justification for type of information:
QSAR prediction

Data source

Reference
Reference Type:
other: computer model
Title:
Unnamed
Year:
2009

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPISuite v.4.0
Release year:
2 008
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Reference substance name:
Reference substance 002
Cas Number:
77-73-6
Specific details on test material used for the study:
SMILES: C(C(C=CC12)C1)(C2C=C3)C3
CAS number: 77-73-6

Study design

Test substance input data:
N/A
Environmental properties:
N/A

Results and discussion

Percent distribution in media

Air (%):
0.539
Water (%):
57.1
Soil (%):
39.5
Sediment (%):
2.91
Other distribution results:
Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (h) (kg/h) Air 0.539 0.521 1000 Water 57.1 360 1000 Soil 39.5 720 1000 Sediment 2.91 3.24e+003 0 Persistence Time: 108 h

Any other information on results incl. tables

Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (h) (kg/h) Air 0.539 0.521 1000 Water 57.1 360 1000 Soil 39.5 720 1000 Sediment 2.91 3.24e+003 0 Persistence Time: 108 h

Applicant's summary and conclusion

Conclusions:
Results from the Level III fugacity model are:
Level III Fugacity Model
Mass Amount (%) Half-Life (hr) Emissions (kg/hr)
Air 0.539 0.521 1000
Water 57.1 360 1000
Soil 39.5 720 1000
Sediment 2.91 3240 0
Persistence time: 108 h
Executive summary:

EpiSuite v.4.0 has provided Level III fugacity model showing distribution of the substance. This method is considered adquate for assessment. Distribution of the substance is Air 0.5%, Water 57%, Soil 40%, Sediment 2.9%, with half life (hr) of air 0.5, water 360, soil 720 and sediment 3240.

The prediction is considered to fall within the model domain