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Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Principles of method if other than guideline:
Calculated by Advanced Chemistry Development (ACD/Labs) software 2.0.
GLP compliance:
no
Dissociating properties:
no

The predicted values of pKa (v5.0.0.184) were:

Strongest pKa (Acid): No Acid pKa

Strongest pKa (Base): No Base pKa

According to the Algorithm Version: v12.1.0.50374:

The structure does not contain ionization centers calculated by current version of ACD/pKa.

Conclusions:
No pKa could be estimated for 2-methylcyclohexyl acetate according to ACD/I-Lab 2.0.
Executive summary:

No pKa could be estimated for 2-methylcyclohexyl acetate according to ACD/I-Lab 2.0.

Description of key information

Key study: No pKa could be estimated for 2-methylcyclohexyl acetate according to ACD/I-Lab 2.0.

Key value for chemical safety assessment

Additional information

Key study: No pKa could be estimated for 2-methylcyclohexyl acetate according to ACD/I-Lab 2.0.

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