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Physical & Chemical properties

Water solubility

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Description of key information

1. limit water solubility based on critical micelle concentration (CMC): 0.009402 g/L at ca. 25 °C
2. estimated by calculation (based on fragments, WATERNT v 1.01, weight-averaged value): 0.25984 mg/L at 25 °C
3. experimental value (OECD 105) = 5.043 g/L at 20 °C, pH=6.39-6.45

Key value for chemical safety assessment

Water solubility:
9.402 mg/L
at the temperature of:
25 °C

Additional information

The water solubility is determined in a weight of evidence approach using experimental and QSAR data. The EPIsuite calculations give very low values and on other hand the experimental water solubility (according to OECD 105) is unexpectedly high. Due to the surface activity of the test item, the critical micelle concentration (CMC) was measured. This value is taken as the key value for the chemical safety assessment, because that is the most reliable result in case of surfactants in comparison to two other extreme values.