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Environmental fate & pathways

Adsorption / desorption

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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:
The justification for read across is provided as an attachment in IUCLID Section 13.
Reason / purpose:
read-across: supporting information
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

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).

 

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.

This data is used as read across for Isohexadecane.

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).