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EC number: 262-104-4 | CAS number: 60207-90-1
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 02 Aug 1990 to 06 Aug 1990
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Version / remarks:
- adopted 12. May 81
- GLP compliance:
- yes
- Dissociating properties:
- yes
- pKa:
- 1.09
- Temp.:
- 20 °C
- Remarks on result:
- other: dissociation constant in water
- Conclusions:
- The dissociation constant pKa was determined to be 1.09 at 20ºC (average of three determinations).
- Executive summary:
This study was performed in accordance with the OECD TG 112 (May 1981) and in compliance with GLP. The dissociation constant pKa was determined to be 1.09 at 20 ºC (average of three determinations).
Reference
|
1stdetermination |
2nddetermination |
3rddetermination |
|||||||||
Temperature |
20ºC |
20ºC |
20ºC |
|||||||||
Concentration |
1.01E-04M |
1.01E-04M |
1.01E-04M |
|||||||||
Wavelength |
233.5 nm |
233.5 nm |
233.5 nm |
|||||||||
Abs. ionized (dM) |
0.304 |
0.306 |
0.305 |
|||||||||
Abs. molecular (dI) |
0.435 |
0.436 |
0.434 |
|||||||||
|
pH |
d |
log ((d-dm)/(dI-d)) |
pKa |
pH |
d |
log ((d-dm)/(dI-d)) |
pKa |
pH |
d |
log ((d-dm)/(dI-d)) |
pKa |
2.60 |
0.307 |
-1.630 |
0.97 |
2.60 |
0.310 |
-1.498 |
1.10 |
2.60 |
0.309 |
-1.555 |
1.05 |
|
2.40 |
0.310 |
-1.319 |
1.08 |
2.40 |
0.313 |
-1.245 |
1.16 |
2.40 |
0.311 |
-1.312 |
1.09 |
|
2.20 |
0.314 |
-1.107 |
1.09 |
2.20 |
0.317 |
-1.056 |
1.14 |
2.20 |
0.314 |
-1.125 |
1.08 |
|
2.00 |
0.319 |
-0.888 |
1.11 |
2.00 |
0.321 |
-0.885 |
1.12 |
2.00 |
0.319 |
-0.915 |
1.09 |
|
1.80 |
0.326 |
-0.695 |
1.10 |
1.80 |
0.328 |
-0.691 |
1.11 |
1.80 |
0.326 |
-0.711 |
1.09 |
|
1.60 |
0.336 |
-0.490 |
1.11 |
1.60 |
0.337 |
-0.504 |
1.10 |
1.60 |
0.335 |
-0.519 |
1.08 |
|
1.40 |
0.349 |
-0.281 |
1.12 |
1.40 |
0.349 |
-0.306 |
1.09 |
1.40 |
0.347 |
-0.316 |
1.08 |
|
1.20 |
0.365 |
-0.066 |
1.13 |
1.20 |
0.362 |
-0.121 |
1.08 |
1.20 |
0.362 |
-0.101 |
1.10 |
|
1.00 |
0.378 |
0.113 |
1.11 |
1.00 |
0.379 |
0.107 |
1.11 |
1.00 |
0.376 |
0.088 |
1.09 |
|
0.80 |
0.391 |
0.296 |
1.10 |
0.80 |
0.391 |
0.276 |
1.08 |
0.80 |
0.388 |
0.256 |
1.06 |
|
pKa Average |
1.09 |
1.11 |
1.08 |
|||||||||
St dev. (±) |
0.043 |
0.024 |
0.015 |
|||||||||
n |
10 |
10 |
10 |
|||||||||
Average of 3 Determinations: pKa = 1.09 |
||||||||||||
Description of key information
Dissociation constant in water pKa = 1.09 at 20ºC (average of three determinations and pH range 0.8 - 2.6), Jäkel 1990
Key value for chemical safety assessment
- pKa at 20°C:
- 1.09
Additional information
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