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Physical & Chemical properties

Dissociation constant

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Administrative data

Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Referenceopen allclose all

Reference Type:
other: QSAR toolbox
Title:
No information
Year:
2011
Bibliographic source:
OECD QSAR toolbox version 2.2, 2011; Phys-chem EPISUITE; PERRIN,DD (1972)
Reference Type:
review article or handbook
Title:
Predicted data by SRC database
Year:
2012
Bibliographic source:
SRC PhysProp Database: PERRIN,DD; 1972

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Estimation database
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Dissociating properties:
yes
Dissociation constant
No.:
#1
pKa:
0.77
Temp.:
25 °C

Applicant's summary and conclusion

Executive summary:

The Dissociation Constant (pKa) of the substance is found to be 0.77 at 25 deg C.