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Physical & Chemical properties

Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Principles of method if other than guideline:
Calculation based on pH in aqueous solution.
Dissociating properties:
yes
No.:
#1
pKa:
5.36
Temp.:
25 °C

Description of key information

Based on calculation for the parent molecule using the pH at a concentration of 0.5 g/L, the PKa is 5.36.

Key value for chemical safety assessment

pKa at 20°C:
5.36

Additional information