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EC number: 949-316-9 | CAS number: 1965233-46-8
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- GLP compliance:
- no
Test material
- Reference substance name:
- potassium;1-(4-chlorophenyl)pyrazol-3-olate
- EC Number:
- 949-316-9
- Cas Number:
- 1965233-46-8
- Molecular formula:
- C9H6ClN2O*K
- IUPAC Name:
- potassium;1-(4-chlorophenyl)pyrazol-3-olate
- Test material form:
- solid
- Remarks:
- lumps of various sizes
Constituent 1
Results and discussion
- Dissociating properties:
- yes
Dissociation constant
- pKa:
- 8.7
- Temp.:
- 20 °C
Any other information on results incl. tables
Result
pKa = 8.7
Estimated accuracy: ± 0.1
Note:
Only the dissociation constant of the test item (main component) was determined. A strong base was also detected at the first inflection point (EP1).
Step |
Volumne of titrant [ml] |
1. Determination
|
2. Determination
|
3. Determination
|
|||
|
|
pH |
pKa |
pH |
pKa |
pH |
pKa |
0 |
1.80 |
8.64 |
8.44 |
8.65 |
8.46 |
8.67 |
8.46 |
1 |
1.90 |
8.62 |
8.45 |
8.62 |
8.46 |
8.63 |
8.47 |
2 |
2.00 |
8.59 |
8.47 |
8.59 |
8.48 |
8.61 |
8.48 |
3 |
2.10 |
8.68 |
8.59 |
8.70 |
8.62 |
8.71 |
8.62 |
4 |
2.20 |
8.65 |
8.60 |
8.66 |
8.62 |
8.68 |
8.63 |
5 |
2.30 |
8.63 |
8.62 |
8.64 |
8.64 |
8.66 |
8.64 |
6 |
2.40 |
8.69 |
8.72 |
8.71 |
8.74 |
8.72 |
8.74 |
7 |
2.50 |
8.67 |
8.73 |
8.68 |
8.76 |
8.70 |
8.76 |
8 |
2.60 |
8.65 |
8.76 |
8.66 |
8.77 |
8.67 |
8.77 |
9 |
2.70 |
8.65 |
8.79 |
8.71 |
8.86 |
8.73 |
8.87 |
10 |
2.80 |
8.65 |
8.82 |
8.69 |
8.87 |
8.71 |
8.88 |
mean of pKa values |
8.66 |
8.68 |
8.69 |
standard deviation |
0.13 |
0.14 |
0.14 |
pKa (overall average) |
8.7 +/- 0.1 |
||
Applicant's summary and conclusion
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