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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
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:
2008
Report date:
2008

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Level I Version 3.0
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Glyoxal
EC Number:
203-474-9
EC Name:
Glyoxal
Cas Number:
107-22-2
Molecular formula:
C2H2O2
IUPAC Name:
oxalaldehyde

Study design

Test substance input data:
The following physico-chemical properties of the substance were used to calculate the distribution:
- molecular mass:    58.04 g/mol
- data temperature: 20 °C
- log Kow:          -1.15 (4)
- water-solubility: 1.0E06 g/m³ (25 °C) (1)
- Henry´s law constant:0.117 Pa*m³/mol (5)
- vapour pressure: 2020 Pa (2)
- melting point: -25 °C (3)

source:
(1) measured: BASF (2002); BPD ID A3.05_01
(2) measured: BASF (2002); BPD ID A3.02_01
(3) measured: BASF (2002); BPD ID A3.01.1_01
(4) measured: BASF (2002); BPD ID A3.09_01
(5) calculated: Mackay L I programme
Environmental properties:
Volume Density Org. C Fish lipid
(m³) (kg/m³) (g/g) (g/g)
air 6.0E+09 1.19
water 7.0E+06 1000
soil 45000 1500 0.02
sediment 21000 1300 0.05
susp. part. 35.0 1500 0.167
fish 7.0 1000 0.05
aerosole 0.120 1500

Results and discussion

Percent distribution in media

Air (%):
4
Water (%):
96

Any other information on results incl. tables

Over time, the substance will preferentially distribute into the compartment water.


Applicant's summary and conclusion

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