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Physical & Chemical properties

Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
no guideline followed
Principles of method if other than guideline:
The dissociation constant of the test substance was estimated following assessment of its structure.
GLP compliance:
yes
Dissociating properties:
not determined
pKa:
< 1
Conclusions:
The dissociation constant of the test substance has been calculated to be less than 1
Executive summary:

The dissociation constant of the test substance was estimated following assessment of its structure. The dissociation constant of the test substance is that of an extremely weak base calculated to be less than 1 and hence cannot be measured. Using the Hammett equation for pKa prediction of the 2-substituted pyridinium ion, pKa is calculated to be -1.7 ± 1.

Description of key information

Estimated based on structure

Key value for chemical safety assessment

Additional information

Calculated to be <1