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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Description of key information

pKa=-5,2

Key value for chemical safety assessment

pKa at 20°C:
-5.2

Additional information

The pKa of heptanal has been estimated by SPARC (a QSAR method) which is a recommended software program to predict pKa by ECHA (the Guidance on information requirements and chemical safety assessment Chapter R.7a: Endpoint specific guidance, table R.7 -36).

The pKa estimated is -5,2.

According to the Guidance on information requirements and chemical safety assessment Chapter R.7a: Endpoint specific guidance, R.7.1.17.3 (ECHA, 2008), if the estimated pKa by QSPR method it is not in the environmentally-relevant pH range (5 -9) a test is not necessary. Therefore, as the value of the dissociation constant is not considered critical for the risk assesment, it is assumed to use this data as a key study.