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Physical & Chemical properties

Water solubility

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Description of key information

Standard water solubility 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

Key value for chemical safety assessment

Water solubility:
93 mg/L
at the temperature of:
20 °C

Additional information

C9, aromatics/Hydrocarbons are UVCBs and the constituent hydrocarbons will exhibit a wide range of water solubility. Standard tests for this endpoint are intended for single substances and are not appropriate for these complex substances as the composition of the total dissolved hydrocarbons will be different from the composition of the parent substance. 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 in section 13).

For the purposes of risk assessment and the chemical safety assessment (CSA), a representative key value for water solubility was calculated using Raoult's law. This water solubility is used to select appropriate sub-SpERCs in the quantitative exposure and risk assessment (See PetroRisk attachment and associated SpERC tab in section 13.2 of the dossier).