Registration Dossier
Registration Dossier
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EC number: 253-781-7 | CAS number: 38103-06-9
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- EPI Suite, Version 3.11; Level III Fugacity Model
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:
- 2 000
- 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 substance name:
- 4,4'-[(isopropylidene)bis(p-phenyleneoxy)]diphthalic dianhydride
- EC Number:
- 253-781-7
- EC Name:
- 4,4'-[(isopropylidene)bis(p-phenyleneoxy)]diphthalic dianhydride
- Cas Number:
- 38103-06-9
- Molecular formula:
- C31H20O8
- IUPAC Name:
- 5,5'-[propane-2,2-diylbis(4,1-phenyleneoxy)]bis(2-benzofuran-1,3-dione)
Constituent 1
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 °C; and
boiling point of 314 °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 %
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