Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Referenceopen allclose all

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
Chemical structure
Reference substance name:
Alcohols, C7-9-iso-, C8-rich
EC Number:
271-231-4
EC Name:
Alcohols, C7-9-iso-, C8-rich
Cas Number:
68526-83-0
Molecular formula:
CnH2n+1OH (n = 7 to 9)
IUPAC Name:
Branched alcohols, C7-9, C8 rich
Details on test material:
CAS Number: 68526-83-0.
Manufacturer: ExxonMobil Chemical Company, Machelen, Belgium.
Purity: 100 %
Appearance: clear liquid.
Date Received: 10-December-2015.
Storage Conditions: room temperature.
Pre-test and post-test characterization and stability analysis included the following determinations: Fourier Transform Infrared (FTIR) spectroscopy and Ultraviolet-Visible (UV-Vis) spectroscopy, GC-MS fingerprint, density, physical-state and miscibility in water, methanol and/or hexane.

Study design

Test substance input data:
MW = 130.23
Temperature = 25C
Water Solubility = 814 mg/L
Vapor Pressure = 40.7 Pa
Pow = 3.0
Melting Point = -90C

Results and discussion

Percent distribution in media

Air (%):
2.44
Water (%):
33.3
Soil (%):
64.1
Sediment (%):
0.1

Applicant's summary and conclusion

Conclusions:
The Mackay Level III equilibrium model estimates that Alcohols, C7-9-iso-, C8-rich, will partition largely to the soil compartment (approximately 64%), followed by the water (approximately 33%) and minimally to the air and sediment compartments (2.5 and 0.1%, respectively), based on all available measured data.
Executive summary:

The Mackay Level III equilibrium model estimates that Alcohols, C7-9-iso-, C8-rich, will partition largely to the soil compartment (approximately 64%), followed by the water (approximately 33%) and minimally to the air and sediment compartments (2.4 and 0.1%, respectively), based on all available measured data.