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Physical & Chemical properties

Water solubility

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Description of key information

C14-20 Aliphatics (≤2% aromatic) are hydrocarbon 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).

  

Water solubility of Hydrocarbons, C17-C19, n-alkanes, <2% aromatics has been calculated to be <0.0009 mg/l at 25°C by a in silico methodology available in Episuite.

 

The Petrorisk estimated water solubility of icosane being of 5.53*10-8 mg/L, this substance can be considered as insoluble.

 

Reported solubility in water of isohexadecane is less than 100 mg/L at 20°C (company data), so isohexadecane can be considered as slightly soluble in water.

Key value for chemical safety assessment

Additional information

C14-20 Aliphatics (≤2% aromatic) are hydrocarbon 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).