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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Dissociation constant

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Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
Deviations:
no
GLP compliance:
yes
Dissociating properties:
yes
No.:
#1
pKa:
8.24
Temp.:
20 °C

The titration of a sample of the test item (a mixture!) gave three semi-equivalence points for:

a) sulfuric acid,

b) acetic acid,

c) peroxyacetic acid.

   First run  Second run
 pKA  8.24 8.24 
 pH value of aqueous solution  3.22 3.23 
 Mean value of pKA     8.24

Conclusions:
Dissociation constant of peracetic acid (at 20 °C): pKA = 8.24
Executive summary:

The dissociation constant of peroxyacetic acid in the test item was determined according to OECD guideline no. 112 with the titration method. No derivation from the guideline. Dissociation constant of peracetic acid (at 20 °C): pKA = 8.24

Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Peer reviewed data
Qualifier:
no guideline available
Guideline:
other: No guideline available at the time of publication
GLP compliance:
no
Dissociating properties:
yes
No.:
#1
pKa:
8.2
Conclusions:
The pKa reported in this overview article is 8.2.
Executive summary:

The pKa reported in this overview article is 8.2 and fully support the new study of Mekelburger.

Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Basic data given
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
QSAR calculation (ACD/LogD Suite Program, Version 9, Advanced Chemistry Development, Toronto, Canada
Dissociating properties:
yes
No.:
#1
pKa:
8.08
Conclusions:
The dissociation constant of peracetic acid was calculated with the ACD/LogD Suite (Version 9) program.
The calculated pKa is 8.08
Executive summary:

The dissociation constant of peracetic acid was calculated with the ACD/LogD Suite (Version 9) program.

The calculated pKa is 8.08.

Description of key information

pKa = 8.24 (20 °C; OECD 122)

Key value for chemical safety assessment

pKa at 20°C:
8.24

Additional information

The dissociation constant of peracetic acid was determined according to OECD guideline 122 using the representative product “Peracetic acid 15%” (Mekelburger, 2007). The found pKa of 8.24 at 20 °C is in line with results reported in literature (Swen, 1970) and a (Q)SAR calculated value (Brachthold, 2007).