Renewable hydrocarbons (diesel type fraction)

Distribution modelling

Administrative data

Endpoint:

distribution modelling

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

Distribution of NExBTL renewable diesel 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 model is based on a Mackay Level III Fugacity model which is well established as a suitable model for describing the fate of substances when they have reached steady-state in the environment using a series of equations to describe transport processes, degradation and advection processes. These are based on the basic parameters input for the substance.

Although NExBTL renewable diesel is an UVCB compound, the range and type of alkanes present is relatively constant with C15-C18 isoalkanes tending to predominate.  Regarding NExBTL 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.

Materials and methods

Model:

calculation according to Mackay, Level III

Calculation programme:

EQC Equilibrium Criterion Model 2.02

Release year:

2 003

Media:

other: air-water-sediment-soil

Test material

Test material information

Constituent 1

Reference substance name:

Renewable hydrocarbons (diesel type fraction)

EC Number:

700-571-2

Cas Number:

928771-01-1

Molecular formula:

C10-20H22-42

IUPAC Name:

Renewable hydrocarbons (diesel type fraction)

Results and discussion

Percent distribution in media

Air (%):

0.01

Water (%):

0.01

Soil (%):

96.6

Sediment (%):

3.38

Other distribution results:

When the discharge was assumed to be to soil only (at rate 1000 kg/h), 99.8 % of the substance ended up in soil. When the discharge was assumed to be in water only (at rate 1000 kg/h), 99.1 % of the substance ended up in sediment with 0.87 % remaining in water phase.

Applicant's summary and conclusion

Executive summary:

Distribution of NExBTL renewable diesel 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 > 99 % NExBTL ends up sediments when released in water whereas emissions to soil and air lead to contamination of soil.

Although NExBTL renewable diesel is an UVCB compound, the range and type of alkanes present is relatively constant with C15-C18 isoalkanes tending to predominate.  Regarding NExBTL 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.