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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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)
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:
1991
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:
1997
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Fugacity modelling for ETBE, unpublished report, 14 October 2003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:
2003

Materials and methods

Model:
calculation according to Mackay, Level I

Test material

Constituent 1
Chemical structure
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

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%

Applicant's summary and conclusion