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EC number: 211-776-7 | CAS number: 694-83-7
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2012
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Principles of method if other than guideline:
- Calculation by online available SPARC tool.
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- 10.35
- Temp.:
- 25 °C
- No.:
- #2
- pKa:
- 7.1
- Temp.:
- 25 °C
- Conclusions:
- According to the calculation by the online available SPARC tool, the pKa value for the first protonation of 1,2-Diaminocyclohexane is 10.35 and the pKa value for the second protonation of 1,2-Diaminocyclohexane is 7.1.
- Executive summary:
According to the calculation by the online available SPARC tool, the pKa value for the first protonation of 1,2-Diaminocyclohexane is 10.35 and the pKa value for the second protonation of 1,2-Diaminocyclohexane is 7.1.
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: Only secondary literature.
- Principles of method if other than guideline:
- Determination of pKa values
- Dissociating properties:
- yes
- Remarks on result:
- other: for quantitative values see 'Any other information on results incl. tables'
- Conclusions:
- According to literature sources, the pKa values for the first protonation of 1,2-Diaminocyclohexane range from 9.77 to 9.94 at 20-25 °C and the pKa values for the second protonation range from 6.13 to 6.47 at at 20-25 °C.
- Executive summary:
According to literature sources, the pKa values for the first protonation of 1,2-Diaminocyclohexane range from 9.77 to 9.94 at 20-25 °C and the pKa values for the second protonation range from 6.13 to 6.47 at at 20-25 °C.
Referenceopen allclose all
Perrin, Austr. J. Chem., 1964, 17, 484 -488:
trans-1,2 -Diaminocyclohexane pKa (1): 9.77 at 25 °C
cis-1,2 -Diaminocyclohexane pKa (1): 9.80 at 25 °C
1,2 -Diaminocyclohexane (not specified) pKa (2): 6.34 at 25 °C
Handbook of Chemistry and Physics, 93rd Edition, 2012-2013:
cis-1,2 -Cyclohexane-diamine
pKa (1): 9.93 at 20 °C
pKa (2): 6.13 at 20 °C
trans-1,2 -Cyclohexane-diamine
pKa (1): 9.94 at 20 °C
pKa (2): 6.47 at 20 °C
Description of key information
According to literature sources, the pKa values for the first protonation of 1,2-Diaminocyclohexane range from 9.77 to 9.94 at 20-25 °C and the pKa values for the second protonation range from 6.13 to 6.47 at 20-25 °C.
According to the calculation by the online available SPARC tool, the pKa value for the first protonation of 1,2-Diaminocyclohexane is 10.35 and the pKa value for the second protonation of 1,2-Diaminocyclohexane is 7.1.
Key value for chemical safety assessment
- pKa at 20°C:
- 10
Additional information
According to literature sources, the pKa values for the first protonation of 1,2-Diaminocyclohexane range from 9.77 to 9.94 at 20-25 °C and the pKa values for the second protonation range from 6.13 to 6.47 at 20-25 °C.
According to the calculation by the online available SPARC tool, the pKa value for the first protonation of 1,2-Diaminocyclohexane is 10.35 and the pKa value for the second protonation of 1,2-Diaminocyclohexane is 7.1.
These values are similar enough to give a reliable estimate of the range of pKa values of the submission substance.
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