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Dissociation constant

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Description of key information

Calculations using the SPARC software yielded the following results:
2,2,4 isomer: pKa = 9.86 and 10.69
2,4,4 isomer: pKa = 10.03 and 10.86
The mean value is 10.36

Key value for chemical safety assessment

pKa at 20°C:
10.36

Additional information