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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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Fugacity modelling for ETBE, unpublished report, 14 October 2003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