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Physical & Chemical properties

Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
ACD Tox Suite 2.95
GLP compliance:
no
Dissociating properties:
yes
No.:
#1
pKa:
ca. 10.8
Temp.:
25 °C
No.:
#2
pKa:
ca. 9.7
Temp.:
25 °C
No.:
#3
pKa:
ca. 7.2
Temp.:
25 °C
Conclusions:
The pKa values are 10.8, 9.7 and 7.2 according to predictions

Description of key information

 The pKa values are 10.8, 9.7 and 7.2 according to predictions.

Key value for chemical safety assessment

pKa at 20°C:
7.1

Additional information

It is not possible to separately determine the pka1, pka2 and pka3 values for this substance in water. pKa values are not expected to change with alkylchain lenght.