Alcohols, C9-11-iso-, C10-rich

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Remarks:

estimated by calculation

Adequacy of study:

key study

Study period:

2016

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Data source

Reference

Reference 1

Reference Type:

other: study report, company data

Title:

Unnamed

Year:

1987

Report date:

1987

Reference 2

Reference Type:

other: Computer model

Title:

Unnamed

Year:

2003

Reference 3

Reference Type:

other: study report, company data

Title:

Unnamed

Year:

1999

Report date:

1999

Reference 4

Reference Type:

publication

Title:

Unnamed

Year:

2001

Reference 5

Reference Type:

other: study report, company data

Title:

Unnamed

Year:

2001

Report date:

2001

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

Test material information

Constituent 1

Reference substance name:

Alcohols, C9-11-iso-, C10-rich

EC Number:

271-234-0

EC Name:

Alcohols, C9-11-iso-, C10-rich

Cas Number:

68526-85-2

Molecular formula:

CnH2n+1OH (n = 9 to 11)

IUPAC Name:

Branched alcohols, C9-11, C10 rich

Details on test material:

Substance type: commercial substance

Study design

Test substance input data:

MW = 158.29 Temperature = 25C Water Solubility = 75 mg/LVapor Pressure = 3.67 Pa Pow = 3.8

Results and discussion

Percent distribution in media

Air (%):

2.07

Water (%):

26.3

Soil (%):

71.5

Sediment (%):

0.152

Susp. sediment (%):

0

Biota (%):

0

Aerosol (%):

0

Any other information on results incl. tables

Level III simulation using the Mackay Multimedia Environmental Model (Mackay, 2001). Mass balances are calculated for the four bulk media of air (gas + aerosol), water (solution + suspended sediment + biota), soil, (solids + air + water), and sediment (solids + pore water). Equilibrium exists within, but not between media. Physical-chemical properties are used to quantify a chemical's behavior in an evaluative environment. Three types of chemicals are treated in this model: chemicals that partition into all media (Type 1), non volatile chemicals (Type 2), and chemicals with zero, or near-zero, solubility (Type 3). The model cannot treat ionizing or speciating substances. The Level III model assumes a simple, evaluative environment with user-defined volumes and densities for the following homogeneous environmental media (or compartments): air, water, soil, sediment, suspended sediment, fish and aerosols.
This model provides a description of a chemical's fate including the important degradation and advection losses and the intermedia transport processes. The distribution of the chemical between media depends on how the chemical enters the system, e.g. to air, to water, or to both. This mode of entry also affects persistence or residence time.
The rates of intermedia transport are controlled by a series of 12 transport velocities. Reaction half-lives are requested for all 7 media. The advective residence time selected for air also applies to aerosols and the residence time for water applies to suspended sediment and fish. The advective residence time of aerosols, suspended sediment and fish cannot be specified independently of the air and water residence times.

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 71.5%), followed by the water (approximately 21.6%), air (approximately 2%), and sediment (<1%) compartments, 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 71.5%), followed by the water (approximately 21.6%), air (approximately 2%), and sediment (<1%) compartments, based on all available measured data.