Diss Factsheets

Environmental fate & pathways

Distribution modelling

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
key study
Study period:
2005
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference

Reference Type:
publication
Title:
Unnamed
Year:
1996
Reference Type:
other: Mathematical model
Title:
Unnamed
Year:
2003

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Level III simulation using the Mackay Multimedia Environmental Model, version 2.80, released 2004, available at the Canadian Environmental Modelling Centre, Trent University, Canada.
Release year:
2 003
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Reference substance name:
Alcohols, C9-C11-branched
IUPAC Name:
Alcohols, C9-C11-branched

Study design

Test substance input data:
MW = 172.31
Temperature = 25C
Water Solubility = 28.1 mg/L
Vapor Pressure = 1.14 Pa
Pow = 4.2
Melting Point = -72C

Results and discussion

Air (%):
2.5
Water (%):
26.8
Soil (%):
70.5
Sediment (%):
0.2

Any other information on results incl. tables

The potential environmental distribution of isoundecanol in 4 environmental compartments as calculated using a fugacity model, the Mackay Level III, under the default emission scenario (1000 kg/h into each of air water and soil compartments) with half-life data set (see above) is shown below:

Relative distribution when released (see half-life values above):

Air
2.5%
Soil
70.5%
Water
26.8%
Sediment
0.2%

Applicant's summary and conclusion

Conclusions:
The Mackay Level III equilibrium model estimates that Alcohols, C9-C11, branched will partition largely to the soil compartment (approximately 70%), followed by the water (approximately 27%) and minimally to the air and sediment compartments (2.5 and 0.2%, respectively), based on all available measured data.
Executive summary:

The Mackay Level III equilibrium model estimates that Alcohols, C9-C11, branched will partition largely to the soil compartment (approximately 70%), followed by the water (approximately 27%) and minimally to the air and sediment compartments (2.5 and 0.2%, respectively), based on all available measured data.