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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Link to relevant study record(s)

dissociation constant
Type of information:
Adequacy of study:
key study
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
QSAR prediction based on a publicly available software package.
other: REACH guidance on QSARs R.6,May/June 2008
Principles of method if other than guideline:
general method for pKa
Dissociating properties:
ca. 9.87
25 °C
Remarks on result:
other: pKa for the amine

The calculation has been run by SPARK On-line calculator :

Current implementations (selected references):

  Major reference:Hilal, Said, S. W. Karickhoff and L. A. Carreira,

       "A Rigorous Test for SPARC's Chemical Reactivity Models: Estimation of

        More Than 4300 Ionization pKa's,"  Quant. Struc. Act. Rel., 14, 348 1995.

pKa value are predicted to 9.87. This at a temperature of 25 °C.
Executive summary:

pKa value are predicted to 9.87. This at a temperature of 25 °C.

Description of key information

pKa value are predicted to 9.87. This at a temperature of 25 °C.

Key value for chemical safety assessment

pKa at 20°C:

Additional information