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EC number: 216-600-2 | CAS number: 1623-05-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data

Distribution modelling
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:
- 2 017
- 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 substance name:
- PPVE
- IUPAC Name:
- PPVE
Constituent 1
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.
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