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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

Reference
Reference Type:
review article or handbook
Title:
ID : 38
Year:
2011
Bibliographic source:
SciFinder, American Chemical Society (ACS):-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2012 ACD/Labs)

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other:
Principles of method if other than guideline:
Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2012 ACD/Labs)
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
3,4-xylidine
EC Number:
202-437-4
EC Name:
3,4-xylidine
Cas Number:
95-64-7
Molecular formula:
C8H11N
IUPAC Name:
3,4-dimethylaniline

Results and discussion

Dissociating properties:
yes
Dissociation constant
No.:
#1
pKa:
5.15
Temp.:
25 °C
Remarks on result:
other: pKa : 5.15±0.10 ; Most Basic

Applicant's summary and conclusion

Executive summary:

pKa : 5.15±0.10 ;

Most Basic ;

Temp : 25 °C