reaction mass of 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluoro-hexane and 1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-(trifluoromethyl)pentane

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Study period:

20 Nov - 14 Dec 2014

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Commonly-accepted level 3 fugacity model, use justified in scientific literature

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2015

Report date:

2015

Materials and methods

Model:

calculation according to Mackay, Level III

Calculation programme:

NewEQC v.1.01, Centre for Environmental Modelling and Chemistry, Trent University, Peterborough, Ontario, Canada

Release year:

2 012

Media:

air - biota - sediment(s) - soil - water

Test material

Test material information

Constituent 1

Reference substance name:

FC-72

IUPAC Name:

FC-72

Details on test material:

- Name of test material (as cited in study report): Perfluorohexane, PFHx

Study design

Test substance input data:

- Molar mass: 338.04
- Data temperature: 22.9 °C
- Water solubility: 0.0841 g/m³
- Vapour pressure: 2.4E+04 Pa
- log Pow: 5.0
- Mineral matter - water partition coefficient: N/A
- Melting point: -90 °C
- Reaction half-life estimates for
- Air: 3.50E+07 hours
- Water: 1E+15 hours
- Soil: 1E+15 hours
- Sediment: 1E+15 hours

Since the uses described in this dossier direct 100% of releases to the air, a total emission rate of 100 tonnes/year entirely to the air compartment was modeled.

Results and discussion

Percent distribution in media

Air (%):

99.996

Water (%):

0

Soil (%):

0.004

Sediment (%):

0

Susp. sediment (%):

0

Biota (%):

0

Aerosol (%):

0

Other distribution results:

Soil distribution: 0.0037% in bulk soil, 0.0036% in gas-filled pore paces, 0.00014% on solids, and 1e-07% in pore water. Shortest intermedia transport half-time: soil to air, 1.45 hours. Half-times from air to soil or to water are >26,000 times longer.

Any other information on results incl. tables

Table 2, Intermedia transport half-times
Transfer process	Half-time (days, unless otherwise listed)
Air to Water	590,000 years
Air to Soil	1610
Water to Air	11.9
Water to Sediment	269
Soil to Air	1.45 hours
Soil to Water	8.91E+05
Sediment to Water	1060
Transfer time ratio
Air : Water	1.82E+07
Air : Soil	2.67E+04
Water : Sediment	0.25

Applicant's summary and conclusion

Conclusions:

FC-72 will distribute predominantly (99.996%) to the atmospheric compartment according to a Level III Mackay model

Executive summary:

FC-72 distribution in the environment was modeled using a Level III fugacity model within the New Equilibrium Criterion model (NewEQC) v.1.01 (Trent University, Peterborough, ON, Canada). Substance properties were entered as per data in this dossier. A total emission rate of 100 kg/year of FC-72 was directed entirely (100%) to air based on uses described in this dossier. The predominant fraction (99.996%) was modeled as remaining present in the gas phase of the air compartment. The calculated intermedia distribution half-time from the soil compartment to the air compartment was 1.45 hours.

Distribution modeling was done using a well-accepted model. It is considered reliable with restrictions.