Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Value calculated using QSAR software.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Modeling program
Title:
(Q)SAR estimation of the distribution, using Estimation Programs Interface Suite™ for Microsoft® Windows, Version 3.11.
Author:
U.S. EPA
Year:
2000
Bibliographic source:
United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPI Suite, Version 3.11; Level III Fugacity Model
Release year:
2 003
Media:
other: air, water soil, sediment

Test material

Reference
Name:
Unnamed
Type:
Constituent

Study design

Environmental properties:
Default values were assumed for environmental compartment descriptions, dimensions, and properties, advective and dispersive properties. Chemical-specific input parameters were:
molecular weight = 520.50 g/mol;
melting point = 187.50 degrees C; and
boiling point of 314 degrees C.
Emissions were assumed to be equally to air, water and soil.

Results and discussion

Percent distribution in media

Air (%):
0.1
Water (%):
1.18
Soil (%):
37.2
Sediment (%):
61.6
Other distribution results:
Air: t1/2 = 16.1 hr; emissions = 1000 kg/hr
Water: t1/2 = 3600 hr; emissions = 1000 kg/hr
Soil: t1/2 = 3600 hr; emissions = 1000 kg/hr
Sediment: t1/2 = 14,400 hr; emissions = 0 kg/hr

Any other information on results incl. tables

Percent in air was actually noted as <0.1%

Applicant's summary and conclusion

Conclusions:
Air < 0.1%
Water = 1.18%
Soil = 37.2%
Sediment = 61.6%