Registration Dossier

Physical & Chemical properties

Dissociation constant

Currently viewing:

Administrative data

Link to relevant study record(s)

Description of key information

Calculated pKa= 12 at 25°C

Key value for chemical safety assessment

Additional information

The pKa was calculated using the scientific acceptable software program SPARC.

This QSPR software complies with the OECD principles which stated in “QSPR prediction of physico-chemical properties for REACH” and was published in the SAR and QSAR in Environment Research in 2013 (Dearden, J.C., Rotureau, P., Fayet G. (2013). QSPR prediction of physico-chemical properties for REACH, SAR and QSAR in Environmental Research, Vol. 24, No.4, 279-318).

The predicted value falls outside the environmentally relevant pH range (5-9) and it would therefore be undissociated under normal conditions.