Registration Dossier

Diss Factsheets

Environmental fate & pathways

Adsorption / desorption

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Calculation of the log Koc to determine the potential for adsorption/desorption of chemicals is acceptable provided that a recognised and scientifically robust methos is used. SPARC v4.2 program has been used to calculate Koc using the log Kow. This approach is considered to be acceptable with restrictions. The information does not come from a test report, and the minimum fields required cannot be filled in.
Justification for type of information:
This endpoint is fulfilled using quantitative structure property relationships for representative hydrocarbon structures. The BCFBAF 3.01 model is a well characterised and generally accepted bioaccumulation prediction model, used by the USEPA, the OECD and recommended by ECHA. The SMILES input data for the BCFBAF 3.01 model is obtained from the PETRORISK Product Library (see OECD QSAR Toolbox report in 'Attached full study report' and PETRORISK report attached in IUCLID section 13).
Principles of method if other than guideline:
Calculated using SPARC v4.2 (May 2008)
GLP compliance:
no
Remarks:
calculated
Type of method:
other: calculated
Media:
other: not applicable
Radiolabelling:
no
Type:
Koc
Value:
184 000 000 000

Equation used : log Koc = 0,00028 + 0,983 * logKow

Log kow used : 11.46

Validity criteria fulfilled:
not applicable
Remarks:
calculated
Conclusions:
Estimated Koc using SPARC v4.2 is 1.84x10^11 L/kg.
Executive summary:

Koc of icosane has been estimated by calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (may 2008). The calculated value is 1.84x10^11 L/kg, using a log Kow of 11.46. This result suggests that icosane is expected to be immobile in soil.

Description of key information

The following data on other representative substances have been included as a weight of evidence. The data is estimated using the calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (May 2008).

 

Koc of icosane has been estimated by calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (May 2008). The calculated value is 1.84 x 1011 L/kg, using a log Kow of 11.46. This result suggests that icosane is expected to be immobile in soil.

Key value for chemical safety assessment

Additional information

C14-20 Aliphatics (≤2% aromatic) are hydrocarbon UVCBs. Standard tests for this endpoint are intended for single substances and are not appropriate for these complex substances. However, this endpoint is characterized using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK spreadsheet attached to IUCLID Section 13).