Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
06 - 11 Dec 2017
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:
2017
Report Date:
2017

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:
2 014
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent

Study design

Test substance input data:
- Molar mass: 266
- Data temperature: 25 °C
- Water solubility: 1.87 g/m³
- Vapour pressure: 67000 Pa
- Henry's law coefficient: 7.93E+06 Pa∙m³/mol
- log Pow: 4.0
- Melting point: -80 °C
- Reaction half-life estimates for:
- Air: 115 hours
- Water: 29.1 hours
- Soil: 7390 hours
- Sediment: 2.4E+07 hours

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:
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, 1.51 hours. Half-times from air to soil or to water are >25,000 times longer.

Any other information on results incl. tables

Table 1, Predicted distribution of PPVE

Compartment

Amount in compartment (kg)

Concentration in compartment (g/L except as indicated)

Percent of total in compartment

Air: Bulk

711

7.11E-12

99.996

      Gas Phase

711

7.11E-12

99.996

      Aerosol

1.27E-06

3.18E-07 µg/g

3.46E-07

Water: Bulk

4.13E-05

2.06E-16

2.57E-05

      Liquid

4.11E-05

2.06E-16

2.55E-05

      Suspended Sediment

1.35E-07

9.00E-11 µg/g

9.96E-08

      Fish (wet weight)

2.06E-08

1.03E-10 µg/g

1.77E-08

Soil: Bulk

0.0277

1.54E-12

3.80E-03

      Pore Air

0.0256

7.11E-11

3.60E-03

      Pore Water

1.20E-05

2.22E-15

9.46E-07

      Solids

0.0021

9.73E-11 µg/g

1.97E-04

Sediment: Bulk

1.02E-05

2.04E-14

7.91E-06

      Water

1.91E-07

4.77E-16

1.25E-07

      Solids

1.00E-05

4.17E-11 µg/g

7.78E-06

Table 2, Losses and distribution (details)

Process

Loss Rate (kg/h), air release

Advection

 

Air

7.11

Water

4.13E-08

Soil

N/A

Sediment

2.04E-10

Reaction

 

Air

4.29

Water

9.84E-07

Soil

2.60E-06

Sediment

2.95E-14

Intermedia Transport

 

Air to Water

1.12E-06

Air to Soil

1.28E-02

Water to Air

1.03E-07

Water to Sediment

8.81E-10

Soil to Air

1.27E-02

Soil to Water

1.02E-08

Sediment to Water

6.77E-10

Table 3, Intermedia transport half-times

Transfer process

Half-time (years unless otherwise listed)

Air to Water

50300

Air to Soil

4.41

Water to Air

11.6 days

Water to Sediment

3.71

Soil to Air

1.51 hours

Soil to Water

215

Sediment to Water

435 days

Transfer time ratio

 

Air : Water

1.58E+06

Air : Soil

2.57E+04

Water : Sediment

3.11

Applicant's summary and conclusion

Conclusions:
PPVE will distribute predominantly (99.996%) to the atmospheric compartment according to a Level III Mackay model
Executive summary:

PPVE 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 PPVE 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 1.51 hours.

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