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Physical & Chemical properties

Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2012-02-22 - 2012-03-15
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Specific details on test material used for the study:
- Batch n°: PFW090017
- Date CoA: 27.10.2011
- Water content: 0.12%
- Test Substance Name Jeffamine EDR-176
- Chemical Name 3,3-etheylenedioxybis(propylamine)
- CAS number 2997-01-5
- Batch Number PFW090017
- Description Colourless liquid
- Molecular Formula C8H20N2O2
- Molecular Weight 176 g.mol-1
Dissociating properties:
not determined
No.:
#1
pKa:
10.55
Remarks on result:
other: pKa = 10.55 +/- 0.5

Titration Data-Dissociation Constant:

 Vol. of Titrant (mL) pH  Mean Vol (mL)   ΔpH/ΔV
 0.00  11.92 1.00  -0.09 
 2.00  11.75 3.00  -0.09 
 4.00  11.57  5.00 -0.08 
 6.00  11.41 7.00   -0.08  
 8.00  11.25 9.00   -0.08  
 10.00  11.09 11.00   -0.08  
 12.00  10.93 13.00   -0.08  
 14.00  10.77 15.00  -0.06 
 16.00  10.64 17.00  -0.09 
 18.00  10.47 19.00  -0.08 
 20.00  10.31 21.00  -0.09 
 22.00  10.13 23.00  -0.11 
 24.00  9.91 25.00  -0.14 
 26.00  9.64 27.00  -0.16 
 28.00  9.32 29.00  -0.20 
 30.00  8.92 31.00  -0.27 
 32.00  8.39 33.00  -0.71 
 34.00  6.97 35.00  -0.82 
 36.00  5.34 37.00  -0.37 
 38.00  4.61 39.00  -0.16 
 40.00  4.29 41.00  -0.11 
 42.00  4.08 43.00  -0.06 
 44.00  3.95 45.00  -0.06 
 46.00  3.84 47.00  -0.02 
 48.00  3.79  49.00 -0.02 
 50.00  3.75  51.00  -0.02
 52.00  3.71 53.00  -0.02 
 54.00  3.66 55.00  -0.01 
 56.00  3.64 57.00  -0.02 
 58.00  3.60  -  -

Formal Determination of pKa (Table A):

 Volume of titrant (mL) pH 
 0.00  11.93
 2.00  11.74
 4.00 11.57 
 6.00  11.40
 8.00 11.25 
 10.00  11.08
 12.00  10.94
 13.00  10.85
 14.00  10.76
 15.00  10.70
 16.00  10.63
 17.00  10.55
 18.00  10.47
 19.00  10.38
 20.00 10.29 

The pKa of the test item was therefore determined as 10.55± 0.5.

Conclusions:
The pKa of the test item was therefore determined as 10.55± 0.5.
Executive summary:

The test is conducted in accordance to the OECD 112 guideline for testing of chemicals, ‘Dissociation Constants in Water’, using the titration method.

The pKa of the test item was therefore determined to be 10.55± 0.5.

Description of key information

The test is conducted in accordance to OECD 112 guideline for testing of chemicals, ‘Dissociation Constants in Water’, using the titration method.

The pKa of the test item was therefore determined as 10.55± 0.5.

Key value for chemical safety assessment

pKa at 20°C:
10.55

Additional information