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Dissociation constant

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Description of key information

Estimation by (Q)SAR prediction of pKa 9.99  at 25 °C. The error of prediction (based on validation data) is +/- 0.4 pKa units.

Key value for chemical safety assessment

pKa at 20°C:

Additional information

QSAR prediction according to SPARC (SPARC Performs Automatic Reasoning in Chemistry) 2009 release w4.5.1529-s4.5.1529 model. Uncertainties in the estimated value are not expected to affect the safety assessment or safe handling of the substance based on the intended uses under the EU REACH Regulation.