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Physical & Chemical properties

Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2002
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
QSAR prediction.
Guideline:
other: Estimation Program "ACD/pKa DB" (Advanced Chemistry Development Inc., Toronto, Canada)'
GLP compliance:
no
Dissociating properties:
no

Heptanoic anhydride can be considered as a neutral molecule in the pH range 2 -10, which is of relevance for biological systems.

Conclusions:
Heptanoic anhydride can be considered as a neutral molecule in the pH range 2 -10, which is of relevance for biological systems.
Executive summary:

The chemical structure of heptanoic anhydride does not show any groups, which can be protonated or deprotonated. With the computer program ACD/pKa DB a pKa value could not be calculated. Therefore it can be considered as a neutral molecule in the pH range 2-10, which is of relevance for biological systems.

Description of key information

Heptanoic anhydride can be considered as a neutral molecule in the pH range 2 -10, which is of relevance for biological systems.

Key value for chemical safety assessment

Additional information

The chemical structure of heptanoic anhydride does not show any groups, which can be protonated or deprotonated.

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