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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.

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Physical & Chemical properties

Partition coefficient

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Administrative data

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Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Qualifier:
no guideline required
Principles of method if other than guideline:
Principles of method if other than guideline
- Software tool(s) used including version: EPISuite (v4.1)
- Model(s) used: KOWWIN v1.68 (September 2010)
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
Type:
log Pow
Partition coefficient:
>= 3.72 - <= 7.22
Temp.:
20 °C
pH:
ca. 7
Remarks on result:
other: See Remarks
Remarks:
Multiple results Calculated log Pow for constituents of this substance range between 3.72 - 7.22. It should be borne in mind that this is the full range of predicted values, and that this may be misleading or unrepresentative of the properties of the UVCB substance as a whole. The range should therefore be treated with caution and not taken out of context. The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised 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 in IUCLID section 13).

Description of key information

Hydrocarbons, C11 -C14, n-alkanes, isoalkanes, cyclics, aromatics (2 -25%) are hydrocarbon UVCBs. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised 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 report attached in IUCLID section 13).

Partition coefficient has been calculated using Petrorisk. The log Kow for Hydrocarbons, C11 -C14, n-alkanes, isoalkanes, cyclics, aromatics (2 -25%) ranges from 3.72 - 7.22.

Key value for chemical safety assessment

Additional information