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Physical & Chemical properties

Dissociation constant

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Administrative data

Endpoint:
dissociation constant
Adequacy of study:
supporting study

Data source

Materials and methods

Principles of method if other than guideline:
SPARC Performance Automated Reasoning in Chemistry (V 4.6)

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES of the main components of the test substance

Results and discussion

Dissociating properties:
yes
Dissosciation constant
pKa:
18.48
Temp.:
25 °C

Applicant's summary and conclusion

Conclusions:
The estimated pKa of the main components is 18.48
Executive summary:

A SPARC estimation of the pKa of the main components gives a pKa of 18.48. This pKa indicates that no significant dissociation occurs within the pH range 5 -9 thus no further testing is necessary.