Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
estimated by calculation
Adequacy of study:
key study
Study period:
11 Feb - 14 Mar 2016
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:
2016
Report Date:
2016

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

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): HFP kinetic dimer, FA-188

Study design

Test substance input data:
- Molar mass: 264.086
- Data temperature: 22 °C
- Water solubility: 0.649 g/m³
- Vapour pressure: 3.47E+04 Pa
- log Pow: 4.1
- Mineral matter - water partition coefficient: N/A
- Melting point: -80 °C
- Reaction half-life estimates for
- Air: 4.92E+03 hours
- Water: 1.2E+07 hours
- Soil: 2.4E+07 hours
- Sediment: 2.4E+07 hours

The uses described in this dossier direct 100% of releases to the air during production, however during service life and disposal some proportion may be subject to burial. A total emission rate of 100 tonnes/year was modeled as entirely to the air compartment, with a second run directing emissions entirely to the soil compartment.

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:
Tabulated percentage distribution is for case 1, 100% release to air (Table 2a). Details of terrestrial distribution: 0.0038% in bulk soil, 0.0036% in gas-filled pore paces, 0.00020 on solids, and 9.5e-07% in pore water. Shortest intermedia transport half-time (Table 3): soil to air, 1.47 hours. Half-times from air to soil or to water are >26,000 times longer.
Case 2, 100% release to soil, results in 2.11% retention in soil, of which 2.00% is in air-filled pore spaces and 0.11% is sorbed to solids (Table 2b).

Any other information on results incl. tables

Table 2a, predicted distribution of HFP kinetic dimer, 100 tpy to air

Compartment

Amount in compartment (kg)

Concentration in compartment (g/L except as indicated)

Percent of total in compartment

Air: Bulk

1126

1.13E-11

99.996

      Gas Phase

1126

1.13E-11

99.996

      Aerosol

3.89E-06

9.74E-07 µg/g

3.46E-07

Water: Bulk

2.89E-04

1.44E-15

2.57E-05

      Liquid

2.88E-04

1.44E-15

2.55E-05

      Suspended Sediment

1.12E-06

7.48E-10 µg/g

9.96E-08

      Fish (wet weight)

2.00E-07

9.99E-10 µg/g

1.77E-08

Soil: Bulk

0.0428

2.38E-12

3.80E-03

      Pore Air

0.0405

1.13E-11

3.60E-03

      Pore Water

1.07E-05

1.97E-15

9.46E-07

      Solids

0.00222

1.03E-10 µg/g

1.97E-04

Sediment: Bulk

8.90E-05

1.78E-13

7.91E-06

      Water

1.40E-06

3.51E-15

1.25E-07

      Solids

8.76E-05

3.65E-15 µg/g

7.78E-06

Table 2b, predicted distribution of HFP kinetic dimer, 100 tpy to soil

Compartment

Amount in compartment (kg)

Concentration in compartment (g/L except as indicated)

Percent of total in compartment

Air: Bulk

1.13E+03

1.13E-11

97.9

      Gas Phase

1.13E+03

1.13E-11

97.9

      Aerosol

3.89E-06

9.74E-07 µg/g

3.39E-07

Water: Bulk

1.76E-03

8.81E-15

1.53E-04

      Liquid

1.75E-03

8.77E-15

1.53E-04

      Suspended Sediment

6.84E-06

4.56E-09 µg/g

5.95E-07

      Fish (wet weight)

1.22E-06

6.10E-09 µg/g

1.06E-07

Soil: Bulk

24.2

1.35E-09

2.11

      Pore Air

23.0

6.38E-09

2.00

      Pore Water

6.04E-03

1.12E-12

5.25E-04

      Solids

1.26

5.82E-08 µg/g

0.109

Sediment: Bulk

5.43E-04

1.09E-12

4.72E-05

      Water

8.57E-06

2.14E-14

7.45E-07

      Solids

5.35E-04

2.23E-09 µg/g

4.65E-05

Table 3, Intermedia transport half-times

Transfer process

Half-time (years, unless otherwise listed)

Air to Water

89,100

Air to Soil

4.41

Water to Air

11.6 days

Water to Sediment

3.24

Soil to Air

1.47 hours

Soil to Water

372

Sediment to Water

1.34

Transfer time ratio

Air : Water

2.80E+06

Air : Soil

2.63E+04

Water : Sediment

2.42

Applicant's summary and conclusion

Conclusions:
HFP kinetic dimer will distribute predominantly (97.9% - 99.996%) to the atmospheric compartment according to a Level III Mackay model
Executive summary:

HFP kinetic dimer 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 HFP kinetic dimer was directed entirely (100%) to air based on uses described in this dossier. A second run directed releases entirely to the soil compartment to help characterize service life of buried articles containing HFP kinetic dimer, as well as disposal of such articles by landfill at end of life. The predominant fraction (97.9% - 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 1.47 hours.

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