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Dissociation constant

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Description of key information

Key value for chemical safety assessment

pKa at 20°C:

Additional information

In the Klimisch 2 non-GLP study from Gries (2012) the pKa-values of Chloroacetamide were calculated using the online software tool SPARC(v4.6 (October 2011 release w4.6.1691 -s4.6.1687)). In the Guidance on information requirements Chapter R.7a: Endpoint specific guidance (May 2008) section R. Evaluation of available information on dissociation constant, page 176 it is stated that " ... it is recommended that SPARC be used". Since an international accepted QSAR tool was used this study was considered to be a Klimisch 2 study. The calculations were performed for 20°C.

The calculated pKa values were all far out of the environmentally relevant range, i.e., -4.56, -2.43 and 13.27. Therefore, these QSAR data are considered as acceptable for the further assessment of the test substance without further testing.