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Physical & Chemical properties

Dissociation constant

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
dissociation constant
Data waiving:
study technically not feasible
Justification for data waiving:
the study does not need to be conducted because the substance has no ionic structure

Description of key information

Due to the lack of ionisable groups, a determination of a dissociation constant is not meaningful. By using SPARC Performance Automated Reasoning in Chemistry (v.4.5) the dissociation constant of tert.-Butylperoxy- 2-ethylhexanoat was calculated revealing a pKa of - 4.85.

Key value for chemical safety assessment

pKa at 20°C:
-4.8

Additional information

Due to the lack of ionisable groups, a determination of a dissociation constant is not meaningful. By using SPARC Performance Automated Reasoning in Chemistry (v.4.5) the dissociation constant of tert.-Butylperoxy- 2-ethylhexanoat was calculated revealing a pKa of - 4.85.