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Physical & Chemical properties

Dissociation constant

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Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Peer-reviewed database
Principles of method if other than guideline:
Experimental determination
GLP compliance:
not specified
Dissociating properties:
yes
No.:
#1
pKa:
14.7
Temp.:
20 °C
Conclusions:
For the test substance a pKa value of 14.7 is reported.
Executive summary:

For the test substance a pKa value of 14.7 is reported.

Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically accepted calculation tool
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR calculation with software tool SPARC (September 2009 release, w4.5.1529-s4.5.1529).
Link to calculation tool: http://ibmlc2.chem.uga.edu/sparc/index.cfm?CFID=152134&CFTOKEN=33013282
GLP compliance:
no
Dissociating properties:
yes
No.:
#1
pKa:
12.73
Temp.:
20 °C
Remarks on result:
other: QSAR calculation
Conclusions:
pK = 12.73
Executive summary:

pK = 12.73

Description of key information

Dissociation constant (pKa): 14.7

Key value for chemical safety assessment

pKa at 20°C:
14.7

Additional information

The value is reported by the peer-reviewed database HSDB.