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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Remarks:
estimated by calculation
Adequacy of study:
supporting study
Study period:
2016
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: US EPA Method
Justification for type of information:
SOFTWARE:
US EPA. Estimation Programs Interface Suite (EpiSuite) v4.11

MODEL (incl. version number):
Fugacity modeling (Level III)

SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL:
COC(=O)CCCCCCCCCCCCCCCCC(=O)OC

ADEQUACY OF THE RESULT:
Results considered sufficient as supporting information in e-fate assessment.

Data source

Reference
Reference Type:
other: Computer Model
Title:
EpiSuite v4.11
Author:
US EPA
Year:
2012
Bibliographic source:
US EPA. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11. United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EpiSuite v4.11
Release year:
2 012
Media:
other: air, water, soil, sediment

Test material

Constituent 1
Chemical structure
Reference substance name:
1,18-dimethyl octadecanedioate
EC Number:
604-582-2
Cas Number:
1472-93-1
Molecular formula:
C20H38O4
IUPAC Name:
1,18-dimethyl octadecanedioate

Study design

Test substance input data:
Molecular Wt: 342.52
Henry's LC : 0.00658 atm-m3/mole (calc VP/Wsol)
Vapor Press : 9e-006 mm Hg (user-entered)
Liquid VP : 1.96e-005 mm Hg (super-cooled)
Melting Pt : 59.2 deg C (user-entered)
Log Kow : 7.56 (user-entered)
Soil Koc : 1.28e+004 (KOCWIN MCI method)

Results and discussion

Percent distribution in media

Air (%):
0.835
Water (%):
14.2
Soil (%):
81.2
Sediment (%):
3.78

Applicant's summary and conclusion

Conclusions:
Fugacity modeling (Level III) using EPI Suite v4.11 showed the distribution of ODDAME in the environment to be 0.835% to air, 14.2% to water, 81.2% to soil and 3.78% to sediment.