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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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
Details on test material:
- Substance type: Commercial product
-Molecular weight: 144.25

Study design

Test substance input data:
MW = 144.26
Temperature = 25C
Water Solubility = 267 mg/L

Smiles used: OCCC(C)CC(C)CC; log Pow 3.5.
Vapor Pressure = 12.09 Pa
Pow = 3.22
Melting Point = -14.04C

Results and discussion

Percent distribution in media

Air (%):
2.12
Water (%):
29.5
Soil (%):
68.2
Sediment (%):
0.12

Applicant's summary and conclusion

Conclusions:
The Mackay Level III equilibrium model estimates that Alcohols, C8-10-iso-, C9-rich, will partition largely to the soil compartment (approximately 68%), followed by the water (approximately 30%) and minimally to the air and sediment compartments (2 and 0.1%, respectively), based on all available measured data.
Executive summary:

The Mackay Level III equilibrium model estimates that Alcohols, C8-10-iso-, C9-rich, will partition largely to the soil compartment (approximately 68%), followed by the water (approximately 30%) and minimally to the air and sediment compartments (2 and 0.1%, respectively), based on all available measured data.