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Environmental fate & pathways

Adsorption / desorption

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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:
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: supporting information
Principles of method if other than guideline:
Calculated using SPARC v4.2 (May 2008)
Type of method:
other: calculated
Media:
other: not applicable
Radiolabelling:
no
Type:
log Koc
Value:
4.16
Type:
Koc
Value:
14 454

Log kow used : 5.86 (Petrorisk)

Validity criteria fulfilled:
not applicable
Remarks:
calculated
Conclusions:
Estimated Koc using SPARC v4.2 is 1.45x10^4 L/kg.
Executive summary:

Koc of decane has been estimated by calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (may 2008). The calculated value is 1.45 x10^4 L/kg, using a log Kow of 5.86.

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:
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: supporting information
Principles of method if other than guideline:
Calculated using SPARC v4.2 (May 2008)
Type of method:
other: calculated
Media:
other: not applicable
Radiolabelling:
no
Type:
log Koc
Value:
4.75
Type:
Koc
Value:
56 234

Log kow used : 6.42 (Petrorisk)

Validity criteria fulfilled:
not applicable
Remarks:
calculated
Conclusions:
Estimated Koc using SPARC v4.2 is 5.62x10^4 L/kg.
Executive summary:

Koc of undecane has been estimated by calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (may 2008). The calculated value is 5.62 x10^4 L/kg, using a log Kow of 6.42.

Endpoint:
adsorption / desorption: screening
Remarks:
other: not applicable
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:
Calculated using SPARC v4.2 (May 2008)
Principles of method if other than guideline:
Calculated using SPARC v4.2 (May 2008)
Type of method:
other: calculated
Media:
other: not applicable
Radiolabelling:
no
Type:
log Koc
Value:
5.04
Type:
Koc
Value:
109 648

Log kow used : 6.98 (Petrorisk)

Validity criteria fulfilled:
not applicable
Remarks:
calculated
Conclusions:
Estimated Koc using SPARC v4.2 is 1.10x10^5 L/kg.
Executive summary:

Koc of dodecane has been estimated by calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (may 2008). The calculated value is 1.10 x10^5 L/kg, using a log Kow of 6.98.

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:
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: supporting information
Principles of method if other than guideline:
Calculated using SPARC v4.2 (May 2008)
Type of method:
other: calculated
Media:
other: not applicable
Radiolabelling:
no
Type:
log Koc
Value:
5.88
Type:
Koc
Value:
758 578

Log kow used : 8.11 (Petrorisk)

Validity criteria fulfilled:
not applicable
Remarks:
calculated
Conclusions:
Estimated Koc using SPARC v4.2 is 7.59 x10^5 L/kg.
Executive summary:

Koc of tretradecane has been estimated by calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (may 2008). The calculated value is 7.59 x10^5 L/kg, using a log Kow of 8.11.

Description of key information

C9-14 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 these substances with the PETRORISK model (see Product Library  in PETRORISK spreadsheet attached to Section 13 of the dossier).

Koc of decane has been estimated by calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (May 2008). The calculated value is 1.45 x10^4 L/kg, using a log Kow of 5.86.

Koc of undecane has been estimated by calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (may 2008). The calculated value is 5.62 x10^4 L/kg, using a log Kow of 6.42.

Koc of dodecane has been estimated by calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (May 2008). The calculated value is 1.10 x10^5 L/kg, using a log Kow of 6.98.

Koc of tretradecane has been estimated by calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (May 2008). The calculated value is 7.59 x10^5 L/kg, using a log Kow of 8.11.

Key value for chemical safety assessment

Additional information

C9-14 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 these substances with the PETRORISK model (see Product Library  in PETRORISK spreadsheet attached to Section 13 of the dossier).