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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:
supporting study
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Data source

Reference
Reference Type:
other: Mackay Level I calculation
Title:
Unnamed
Year:
2008
Report date:
2008

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:
3,5,5-trimethylhexanoic acid
EC Number:
221-975-0
EC Name:
3,5,5-trimethylhexanoic acid
Cas Number:
3302-10-1
Molecular formula:
C9H18O2
IUPAC Name:
3,5,5-trimethylhexanoic acid

Study design

Test substance input data:
- Molar mass: 158.24 g/mol
- Data temperature: 25 °C
- Water solubility: 2000 g/m³
- Vapour pressure: 1 Pa
- log Pow: 2.34
- Melting point: -65 °C

Results and discussion

Percent distribution in media

Air (%):
1.99
Water (%):
72.6
Soil (%):
12.6
Sediment (%):
12.7
Susp. sediment (%):
0.08
Biota (%):
0.01
Aerosol (%):
0

Applicant's summary and conclusion

Conclusions:
Trimethylhexanoic acid will mainly be distributed to the compartments water, sediment and soil.

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