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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:
data from handbook or collection of data
Remarks:
No test substance information, no guideline, secondary literature, but reference handbook.
Guideline:
other: no data
Dissociating properties:
not determined
No.:
#1
pKa:
7.38
Temp.:
25 °C
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: Result from ECHA recommended QSAR model, consistent with other experimental values
Justification for type of information:
QSAR prediction
Qualifier:
no guideline required
Principles of method if other than guideline:
QSAR
Dissociating properties:
yes
No.:
#3
pKa:
7.4
Temp.:
25 °C
Remarks on result:
other: In Sparc database, From IUPAC/Serjeant & Dempsey (exp)
No.:
#1
pKa:
-4.99
Remarks on result:
other: corresponds to ionisation of the aldehyde (calculated)
No.:
#2
pKa:
7.79
Remarks on result:
other: corresponds to ionisation of the OH (calculated)

No more data on results.

Description of key information

There are pKA = 7.38 and 7.4 at 25°C. The predicted values by the SPARC software program were 7.79 (for OH) and -4.99 (for CHO);

Key value for chemical safety assessment

Additional information

Two handbook values are reported in secondary databases.