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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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:
2004
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Peer reviewed data

Data source

Reference
Reference Type:
secondary source
Title:
Unnamed
Year:
2004

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Trent University (1999 & 2004). Fugacity-based Environmental Equilibrium Partitioning Model. Version 2.2.
Release year:
2 002
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Maleic anhydride
EC Number:
203-571-6
EC Name:
Maleic anhydride
Cas Number:
108-31-6
Molecular formula:
C4H2O3
IUPAC Name:
furan-2,5-dione

Study design

Test substance input data:
- Molar mass: 116.07 g/mol
- Data temperature: 25 °C
- Water solubility: 407,000 g/m³
- Vapour pressure: 4.8 x 10-3 Pa
- log Pow: -2.61
- Melting point: 84.2 ºC
- Reaction half-life estimates for
- Air: 29.3 hours
- Water: 208 hours
- Soil: 208 hours
- Sediment: 832 hours

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
100
Soil (%):
0
Sediment (%):
0
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

    
The material was modeled as a Type 1 chemical, i.e., it was assumed  capable of partitioning into all media. A more correct approach would  have been to model the material as a Type 2 chemical with a Z value of  zero or near-zero in air and an initial estimate of Z in water of 1.0.  This partitioning model would be calculated using the equivalence  approach instead of the fugacity calculation. However, the required  partition coefficients for Type 2 chemicals are not those used for Type 1  chemicals and were not available. Appropriate partition coefficients are  not readily estimated for Type 2 chemicals. In the absence of data,  errors and uncertainty from using estimated parameters would be likely to  counteract any improved accuracy from using a better model. Consequently,  more detailed modeling would be unlikely to significantly affect the  prediction of environmental fate if greater water solubility were assumed  (Zwater = 1.0).

Resulting distributions of maleic acid (resulting from hydrolysis of maleic anhydride) were:
Level II
Air: < 0.01%
Water: 100%
Soil: 0.0%
Sediment: 0.0%
Resulting distributions of maleic acid (resulting from hydrolysis of  maleic anhydride) were:
Level III
Air:       0.0%
Water:       50%
Soil:       50%
Sediment: 0.02%

Applicant's summary and conclusion