Hydrocarbons, C10-C13, aromatics, >1% naphthalene

Partition coefficient

Link to relevant study record(s)

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

Justification for type of information:

Standard partition coefficient studies are not applicable to petroleum UVCB substances, therefore in
accordance with Annex XI Section 1.3 testing is not scientifically necessary and the endpoint has
been fulfilled using QSAR calculations for relevant constituents. Full justifications for this QSAR are
presented in 'Attached justification', but in brief these are justified because:
- the results are obtained from a QSAR model whose scientific validity has been established
- petroleum substances fall within the applicability domain of the QSAR model
- results are adequate for the purposes of risk assessment
- adequate and reliable documentation is provided

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:

>= 3.17 - <= 5.6

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 3.17 - 5.60. 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

Standard partition coefficient studies are not appropriate for petroleum UVCB substances. In accordance with Annex XI Section 1.3 testing is not scientifically necessary and the endpoint has been fulfilled using QSAR calculations for relevant constituents. Full justifications for this QSAR are presented in 'Attached justification', but in brief these are justified because:

-the results are obtained from a QSAR model whose scientific validity has been established

-petroleum substances fall within the applicability domain of the QSAR model

-results are adequate for the purposes of risk assessment

-adequate and reliable documentation is provided

Additional information

The substance is a hydrocarbon UVCB. Standard partition coefficient studies for this endpoint are intended for monoconstituent 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).