Registration Dossier

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Fugacity modelling for ETBE, unpublished report, 14 October 2003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
Calculation programme:
Level I, v3.00
Release year:
1 991
Media:
other: air-soil-water-biota-sediment-aerosols

Test material

Reference
Name:
Unnamed
Type:
Constituent

Study design

Environmental properties:
Molecular weight = 170.3 g/mol
Melting point = -129.5 degrees Celsius
Boiling point = -17 degrees Celsius
Vapour pressure 38,700 Pa at 25 degrees Celsius
Water solubility 230 mg/L
log Kow = 2.29

Results and discussion

Percent distribution in media

Air (%):
100
Water (%):
0.02
Soil (%):
0
Sediment (%):
0
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Level I Model
Version 3.00
-September 2004.
Input values are in italics.
Simulation ID:
TNO
Additional Comments:HFC 227ea
Date: 3/30/2010 Time: 2:39:24 PM
Chemical Name:HFC 227ea
Environment Name:Default
CHEMICAL PARAMETERS
Chemical Type
I
Molar Mass170.03 g/mol
Data Temperature 25C298.15 K
Water Solubility230 g/m31.35 mol/m3
Vapour Pressure38700 Pa
The Vapour Pressure required is that of the chemical in the state at the data temperature. For solids, the cooled liquid vapour pressure is also calculated.
Melting Point-129.5 °C143.65 K
Henrys Law Constant 28609 Pa.m3/mol
Log Kow2.29

Applicant's summary and conclusion