Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
Not applicable
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The level III fugacity modelling of EPIWEB v 4.0 was used which is a direct adaption of the methodology of Mackay’s EQC model, which is a well established and validated distribution model.
Justification for data waiving:
other:
Cross-referenceopen allclose all
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study

Data source

Reference
Reference Type:
other: software
Title:
Level III Fugacity model (EPIWEB v 4.0)
Author:
U.S. Environmental Protection Agency
Year:
2009
Bibliographic source:
US EPA. [2009]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Mackay Level III Fugacity model (EPIWEB v 4.0)
Release year:
2 009
Media:
other: air-water-sediment-soil

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
- Name of test material: Amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl) (CAS 68603-42-9)
- Alkyl chain composition:
1. C8: ≤12 %
2. C10 : ≤12 %
3. C12: 42 to 65 %
4. C14: 13 to 25 %
5. C16: 5 to 13 %
6. C18: 1 to 15 %
7. C18’: ≤20 %
8. C18’’: ≤4 %

Study design

Test substance input data:
Environmental parameters: All half-lifes (in air, water, soil and sediment), emissions, soil Koc and advection values derived by estimation methods within EPI Suite are used as the input environmental parameters. Other physchem parameters used for estimation are melting point, vapor pressure, Henry’s Law constant and log Kow.
Environmental properties:
See the above test substance input data

Results and discussion

Percent distribution in media

Air (%):
0.037
Water (%):
27.66
Soil (%):
71.69
Sediment (%):
0.251
Other distribution results:
None

Any other information on results incl. tables

Initially, using the Level III Fugacity model of EPIWEB v 4.0, the values of the percent distribution in air, water, soil and sediment compartments were calculated for the individual components. The final values of the percent distribution in different environmental compartments for ‘amides,C8-18 and C18-unsatd., N,N-bis(hydroxyethyl)’ were finally calculated on a weighted-average basis using the mole fractions of the individual components.

Applicant's summary and conclusion

Conclusions:
The estimated percent distribution of ‘amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl)’ in air, water, soil and sediment, using Fugacity level III model (EPIWEB v 4.0) was 0.037, 27.67, 71.69 and 0.25, respectively.
Executive summary:

Distribution data in air, water, soil and sediment was estimated using Mackay level III fugacity modelling (EPIWEB v 4.0). This model is a direct adaption of the methodology of Mackay’s EQC model, and is a well established and validated distribution model.

The values of the percent distribution in different environmental compartments for ‘amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl)’ were finally calculated on a weighted-average basis using the mole fractions of the individual components.

The estimated percent distribution of ‘amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl)’ in air, water, soil and sediment, using Fugacity level III model (EPIWEB v 4.0) was 0.037, 27.67, 71.69 and 0.25,respectively.