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Environmental fate & pathways

Distribution modelling

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distribution modelling
Type of information:
calculation (if not (Q)SAR)
Migrated phrase: estimated by calculation
Adequacy of study:
key study
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Model considered reliable by OECD.

Data source

Reference Type:
other: Modeling program
EQC Equilibrium Criterion Model 2.02
Canadian Environmental Modelling Centre

Materials and methods

calculation according to Mackay, Level III
Calculation programme:
EQC Equilibrium Criterion Model 2.02
Release year:
2 003
other: air-soil-sediment

Test material

Constituent 1
Reference substance name:
NExBTL Biojet
NExBTL Biojet

Study design

Test substance input data:
- Molar mass: 208 g/mol
- Data temperature: 25 C
- Water solubility: 0.09 mg/m3
- Vapour pressure: 242.2 Pa
- log Pow: 7.49
- Melting point: -3.81 c
- Reaction half-life estimates for
- Air: 1E11 h
- Water: 127.2 h
- Soil: 25440 h
- Sediment: 254400 h

Results and discussion

Percent distribution in media

Air (%):
Water (%):
Soil (%):
Sediment (%):

Any other information on results incl. tables

When the discharge was assumed to be to soil only (at rate 1000 kg/h), 97.7 % of the substance ended up in soil. When the discharge was assumed to be in water only (at rate 1000 kg/h), 98.9 % of the substance ended up in sediment with 1.05 % remaining in water phase.

Applicant's summary and conclusion

Executive summary:

Distribution of the substance among different environmental compartments was calculated using EQC Equilibrium Criterion Model 2.02 (by Canadian Environmental Modelling Centre, 2003) assuming equal releases at a constant rate to air, soil and water. The results indicated that > 98 % the substance ends up sediments when released in water whereas emissions to soil lead to contamination of soil with > 97 % of the substance remaining in soil.

Although the substance is an UVCB compound, the range and type of alkanes present is relatively constant with C14-C18 isoalkanes tending to predominate.  Regarding the substance as a single complex substanceis justified based on the fact that the main components presentare from a single chemical group (alkanes). It is well known that hydrocarbons of similar structure will have similar physicochemical properties and environmental-degradation potentials, and they will also have similar distributions and fates within a given environment.

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