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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Distribution modelling

Currently viewing:

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
n/a
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: This robust summary was given, a reliability rating of 2, because the data are not measured values for the product listed, but are calculated for representative constituents.
Justification for type of information:
A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
Cross-reference
Reason / purpose for cross-reference:
read-across: supporting information
Reference
Endpoint:
distribution modelling
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Study period:
n/a
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: This robust summary was given, a reliability rating of 2, because the data are not measured values for the product listed, but are calculated for representative constituents.
Justification for type of information:
A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
Reason / purpose for cross-reference:
read-across source
Model:
calculation according to Mackay, Level III
Calculation programme:
PETRORISK Model, version 5.2
Release year:
2 010
Media:
air - biota - sediment(s) - soil - water
Air (%):
0.45
Water (%):
0.95
Soil (%):
8.8
Sediment (%):
89.8

Distribution modelling results are included in the 'Multimedia distribution modeling results' tab in tthe PETRORISK spreadsheet attached to Section 13 of the CSR. Based on the regional scale exposure assessment, the multimedia distribution of the substance is 0.42 % to air, 0.95 % to water, 90 % to sediment and 0.0008 % to soil.

Conclusions:
The distribution of the substance in the environmental compartments, air, water, soil, and sediment, has been calculated using the PETRORISK Model, version 5.2. Based on the regional scale exposure assessment, the multimedia distribution of the substance is 0.42 % to air, 0.95 % to water, 0.0008 % to soil and 90 % to sediment. Distribution modeling results are included in the 'Multimedia distribution modeling results' tab in the PETRORISK spreadsheet attached to IUCLID section 13.
Executive summary:

This data is being read across from the source study that tested Hydrocarbons, C13-C18, n-alkanes, isoalkanes, cyclics, <2% aromatics based on analogue read across.

 

The distribution of the substance in the environmental compartments, air, water, soil, and sediment, has been calculated using the PETRORISK Model, version 5.2. Computer modeling is an accepted method for estimating the environmental distribution of chemicals. Distribution modeling results are included in the 'Multimedia distribution modeling results' tab in the PETRORISK spreadsheet attached to IUCLID section 13.

Data source

Reference
Reference Type:
other: computer model
Title:
Unnamed
Year:
2010

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
PETRORISK Model, version 5.2
Release year:
2 010
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Hydrocarbons, C13-C18, n-alkanes, isoalkanes, cyclics, <2% aromatics
EC Number:
921-050-8
Molecular formula:
Combination of mainly CnH2n+2 and CnH2n structures, comprised mainly within a carbon number range from C13 to C18
IUPAC Name:
Hydrocarbons, C13-C18, n-alkanes, isoalkanes, cyclics, <2% aromatics
Details on test material:
- Name of test material (as cited in study report): Hydrocarbons, C13-C18, n-alkanes, isoalkanes, cyclics, <2% aromatics
- Substance type: Petroleum product, UVCB
- Composition of test material, percentage of components: See the "Overall Remarks and Attachments" section below for the detailed composition used in the modelling for this substance

Results and discussion

Percent distribution in media

Air (%):
0.45
Water (%):
0.95
Soil (%):
8.8
Sediment (%):
89.8

Any other information on results incl. tables

Distribution modelling results are included in the 'Multimedia distribution modeling results' tab in tthe PETRORISK spreadsheet attached to Section 13 of the CSR. Based on the regional scale exposure assessment, the multimedia distribution of the substance is 0.42 % to air, 0.95 % to water, 90 % to sediment and 0.0008 % to soil.

Applicant's summary and conclusion

Conclusions:
The distribution of the substance in the environmental compartments, air, water, soil, and sediment, has been calculated using the PETRORISK Model, version 5.2. Based on the regional scale exposure assessment, the multimedia distribution of the substance is 0.42 % to air, 0.95 % to water, 0.0008 % to soil and 90 % to sediment. Distribution modeling results are included in the 'Multimedia distribution modeling results' tab in the PETRORISK spreadsheet attached to IUCLID section 13.
Executive summary:

The distribution of the substance in the environmental compartments, air, water, soil, and sediment, has been calculated using the PETRORISK Model, version 5.2. Computer modeling is an accepted method for estimating the environmental distribution of chemicals. Distribution modeling results are included in the 'Multimedia distribution modeling results' tab in the PETRORISK spreadsheet attached to IUCLID section 13.