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 - 2nd Edition
Author:
MacKay, D
Year:
2001
Bibliographic source:
Lewis Publishers, Boca Raton, pp 1-261, 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Fugacity modelling for ETBE, unpublished report, 14 October 2003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 III
Calculation programme:
Level III, v2.70
Release year:
1 991
Media:
other: air-soil-water-biota-sediment-aerosols

Test material

Constituent 1
Chemical structure
Reference substance name:
Pentafluoroethane
EC Number:
206-557-8
EC Name:
Pentafluoroethane
Cas Number:
354-33-6
Molecular formula:
C2HF5
IUPAC Name:
1,1,1,2,2-pentafluoroethane

Study design

Test substance input data:
- Molar mass: 120.05 g/mol
- Data temperature: 25°C
- Water solubility: 430 mg/l
- Vapour pressure: 1375.8 kPa
- log Pow: 1.48
- Melting point: -103°C
- Reaction half-life estimates for
- Air: 8023 days*
- Water: 4.17E+09 days (negligible)
- Soil: 4.17E+09 days (negligible)
- Sediment: 4.17E+09 days (negligible)
- Suspended sediment: 4.17E+09 days (negligible)
- Aerosols: 4.17E+09 days (negligible)
- Aquatic biota: 4.17E+09 days (negligible)

* Atmospheric half life was calculated by considering the OH radicals-mediated photolysis constant of 2E-15 cm3/molecule/s (JPL 2003) and the default OH concentration of 5E+5 molecules/cm3 to derive a pseudo-first order constant of 1E-09/s. The half life was estimated by the equation:
t1/2=Ln2/k = 0.69/1E-09 = 693147180 s = 8023 days
Environmental properties:
An Equilibrium Criterion (EQC) standard environment was considered.
An emission rate of 1000 kg/h to the air comparment was considered.

Results and discussion

Percent distribution in media

Air (%):
100
Water (%):
0.001
Soil (%):
0.004
Sediment (%):
0
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Applicant's summary and conclusion