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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:
data from handbook or collection of data
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculation of pKa for anilines = 4.58 – 2.88∑sigma, sigmameta for NH2 = 0
GLP compliance:
not specified
Dissociating properties:
not determined
No.:
#2
pKa:
4.58
Temp.:
20 °C
Remarks on result:
other: pKa for anilines = 4.58 – 2.88∑sigma, sigmameta for NH2 = 0, room temperature assumed
Conclusions:
pKa: 4.58 at 20°C
Executive summary:

The pKa of the test substance was determined to be 4.58 at 20°C.

Description of key information

Calculated

Key value for chemical safety assessment

pKa at 20°C:
4.58

Additional information