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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:
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: migrated from IUCLID 5.6
Guideline:
other: Estimation Program "ACD/pKa DB" (Advanced Chemistry Development Inc., Toronto, Canada)' and "CAMEO" (Computer Assisted Mechanistic Evaluation of Organic Reactions)
GLP compliance:
no
Dissociating properties:
no

The test item does not contain any functional groups which can be protonated or deprotonated significantly in aqueous solution.

With the computer program ACD/pKa DB ( Advanced Chemistry Development Inc., Toronto, Canada) a pKa value could not be calculated.

Therefore, the substance is to be considered a neutral molecule in the pH range 2 ¿ 10, which is of relevance for aqueous biological systems.

Conclusions:
The test item does not contain any functional groups which can be protonated or deprotonated significantly in aqueous solution. Therefore, the substance is to be considered a neutral molecule in the pH range 2 ¿ 10, which is of relevance for aqueous biological systems.
Executive summary:

The test item does not contain any functional groups which can be protonated or deprotonated significantly in aqueous solution.

With the computer program ACD/pKa DB ( Advanced Chemistry Development Inc., Toronto, Canada) a pKa value could not be calculated.

Therefore, the substance is to be considered a neutral molecule in the pH range 2 ¿ 10, which is of relevance for aqueous biological systems.

Description of key information

Pentanoic anhydride does not contain any functional groups which can be protonated or deprotonated significantly in aqueous solution. Therefore, the substance is to be considered a neutral molecule in the pH range 2-10, which is of relevance for aqueous biological systems.

Key value for chemical safety assessment

Additional information