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Physical & Chemical properties

Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
other: Estimated by calculation
Adequacy of study:
key study
Study period:
Start date of the experimental work: 17/06/2009 and Completion date of the experimental work: 13/07/2009
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Conducted at a GLP accredited laboratory
Qualifier:
no guideline followed
Principles of method if other than guideline:
Experimental techniques are available for the determination of dissociation constant of a substance. These tests are described in OECD 112. They are Titration method, Spectrophotometric method and Conductometric method. The described tests cannot to be carried out because the sample, reacts with water, hence an estimation based on a calculation has been carried out.



GLP compliance:
no
Dissociating properties:
no

Experimental techniques are available for the determination of dissociation constant of a substance. These tests are described in OECD 112. They are Titration method, Spectrophotometric method and Conductometric method. The discribed tests cannot to be carried out because the sample, reacts with water, hence an estimation based on a calculation has been carried out.

From the study of the chemical structure of the test item, the parent compound isocyanate does not belong to the group of compounds for which measured acid dissociation constant or reaction constant is available in literature.

As a result the dissociation constant cannot be estimated even though substituent constants are available for the amide and alkoxy substituent.

Conclusions:
Based on the above assessment, the dissociation constant cannot be estimated.
From the study of the chemical structure of the test item, the parent compound isocyanate does not belong to the group of compounds for which measured acid dissociation constant or reaction constant is available in literature.
As a result, the dissociation constant cannot be estimated even though substituent constants are available for the amide and alkoxy substituent.

Description of key information

The dissociation constant cannot be estimated.

Key value for chemical safety assessment

Additional information