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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)
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Supporting information derived by accepted calculation method for which its reliability is considered not assignable (without additional information).

Data source

Materials and methods

Test guideline
Guideline:
other:
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Cyclohexanol
EC Number:
203-630-6
EC Name:
Cyclohexanol
Cas Number:
108-93-0
Molecular formula:
C6H12O
IUPAC Name:
cyclohexanol
Test material form:
not specified
Details on test material:
Supplier or purity not applicable for in silico method.

Results and discussion

Dissociating properties:
no
Dissociation constant
No.:
#1
pKa:
17.6
Temp.:
25 °C
Remarks on result:
other: calculated

Applicant's summary and conclusion