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Diss Factsheets

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method, peer-reviewed.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Mackay, Level 1, v3.00
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Isooctadecanoic acid
EC Number:
250-178-0
EC Name:
Isooctadecanoic acid
Cas Number:
30399-84-9
Molecular formula:
not applicable (UVCB substance)
IUPAC Name:
2-methylheptadecanoic acid
Details on test material:
- Name of test material: Isooctadecanoic acid
- Analytical purity: not applicable
- Molecular formula: Example: C18H36O2
- Molecular weight: 284.48 g/mole
- Smiles notation: C(CCCCCCCCCCCCCCCCC)(O)=O

Study design

Test substance input data:
- Molar mass: 284.48
- Data temperature: 25°C
- Water solubility: 0.24 mg/L
- Vapour pressure: 0.0000445 Pa (MPBPWIN v1.43)
- log Pow: 7.5 (KOWWIN v1.67)
- Melting point: -21 °C

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
0.02
Soil (%):
49.5
Sediment (%):
50.1
Susp. sediment (%):
0.322
Biota (%):
0.031
Aerosol (%):
0.001

Applicant's summary and conclusion