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EC number: 211-309-7 | CAS number: 637-92-3
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Recognised modelling method.
Data source
Referenceopen allclose all
- Reference Type:
- publication
- Title:
- Multimedia Fugacity Modelling : the Fugacity Approach
- Author:
- MacKay, D
- Year:
- 1 991
- Bibliographic source:
- Lewis Publishers, Chelsea, MI, USA
- Reference Type:
- publication
- Title:
- EQC model v. 1.01. Based on Mackay, D; Di Guardo, A; Paterson, S and Cowan, CE (1996). Evaluating the Environmental Fate of a Variety of Types of Chemicals using the EQC Model
- Author:
- MacKay, D; Di Guardo, A; Paterson, S and Cowan, CE
- Year:
- 1 997
- Bibliographic source:
- Environ. Toxicol. Chem. 15, 1627-1637
- Reference Type:
- publication
- Title:
- Fugacity modelling for ETBE, unpublished report, 14 October 2003
- Author:
- Wildey, RJ
- Year:
- 2 003
Materials and methods
- Model:
- calculation according to Mackay, Level I
Test material
- Reference substance name:
- 2-ethoxy-2-methylpropane
- EC Number:
- 211-309-7
- EC Name:
- 2-ethoxy-2-methylpropane
- Cas Number:
- 637-92-3
- Molecular formula:
- C6H14O
- IUPAC Name:
- 2-ethoxy-2-methylpropane
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 96.2
- Water (%):
- 3.66
- Soil (%):
- 0.1
Any other information on results incl. tables
INPUT DATA SET
The following physico-chemical properties of ETBE were used:
Molecular weight = 102
Data temperature = 20 degrees C
Log Kow = 1.48 (at 25 deg C; Montgomery, 1994)
Water solubility = 23700 mg/l (2.37% w/w; 20 degrees C; Chatin et al., 1994)
Vapour pressure = 29800 Pa (temperature not known; IUCLID database)
Melting point = -94 degrees C (EPIWIN database)
The reaction half-life was set at negligible reaction in all compartments.
LEVEL I RESULTS
The environmental distribution, as calculated from the above parameters using the Mackay Level I model (EQC program) is as follows:
To Air 96.2%
To Soil 0.098%
To Water 3.658%
To Fish 5.52E-06%
To Sediment 2.17E-03%
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