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Diss Factsheets

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Referenceopen allclose all

Reference Type:
other: Mackay Level I calculation
Title:
Unnamed
Year:
2017
Report date:
2017
Reference Type:
other: Estimation software
Title:
Level I Model, v3.0
Author:
CEMC
Year:
2004
Bibliographic source:
Canadian Centre for Environmental Modelling and Chemistry (CEMC), Trent University, 1600 West Bank Drive, Peterborough, Ontario, CANADA

Materials and methods

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

Test material

Constituent 1
Chemical structure
Reference substance name:
Isobutyraldehyde
EC Number:
201-149-6
EC Name:
Isobutyraldehyde
Cas Number:
78-84-2
Molecular formula:
C4H8O
IUPAC Name:
2-methylpropanal
Details on test material:
- Name of test material: 2-Methylpropanal

Study design

Test substance input data:
- Molar mass: 72.11 g/mol
- Data temperature: 25 °C (Yaws, 1994)
- Water solubility: 60 g/L (experimental)
- Vapour pressure: 23065 Pa (experimental)
- log Pow: 0.77 (experimental)
- Melting point: <-20 °C (experimental)
Environmental properties:
See "Any other information on materials and methods".

Results and discussion

Percent distribution in media

Air (%):
90.5
Water (%):
9.46
Soil (%):
0.004
Sediment (%):
0.004

Applicant's summary and conclusion

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