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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
The result was obtained by an appropriate predictive method.
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
The model is based on fragment values. That is, the chemical structure is broken down into its constituent functional groups, and the contribution of each group toward the overall solubility is calculated. Certain correction factors may also apply.
Water solubility:
> 0.001 - < 0.94 mg/L
Temp.:
20 °C
Remarks on result:
other: The water solubility of the individual constituents of the substance is the range 9.2E-04 - 9.4E-01 mg/l at 20°C mg/l at 20°C

Description of key information

The water solubility of the individual constituents of the substance is the range 9.2E-04 - 9.4E-01 mg/l at 20°C mg/l at 20°C.

Key value for chemical safety assessment

Additional information

Substance is a petroleum UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex 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 this substance with the PETRORISK model (see Product Library in PETRORISK spreadsheet attached in section 13).

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