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Diss Factsheets

Physical & Chemical properties

Dissociation constant

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Reference
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
Qualifier:
according to guideline
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
GLP compliance:
yes
Specific details on test material used for the study:
.
Dissociating properties:
yes
pKa:
4.3
Temp.:
20 °C

Table 1: pH measurements

x cm3

HCI

50.0

9.0

8.0

7.0

6.0

5.0

3.0

-

x cm3

KOH

-

-

-

-

-

-

-

10.0

pH

1.58

3.90

4.16

4.37

4.55

4.72

5.07

9.02

Table 2: Dissociation Constant Calculations

1

2

3

4

5 (pKa)

Rep.

pH

Absorbance, 235.8 nm

log((A - Am)/(Ai -A))

pH+COL4

 

1.54

0.5243

-

-

 

3.84

0.4558

+0.3752

4.22

 

4.11

0.4240

+ 0.1150

4.22

1

4.32

0.4036

-0.0391

4.28

 

4.50

0.3839

- 0.1902

4.31

 

4.67

0.3664

- 0.3345

4.34

 

5.04

0.3290

- 0.7380

4.30

 

9.25

0.2933

-

-

 

1.59

3.87

0.5242

0.4590

-

+ 0.4108

-

4.28

 

4.13

0.4285

+ 0.1571

4.29

2

4.35

0.4056

-0.0153

4.33

 

4.54

0.3803

- 0.2077

4.33

 

4.70

0.3593

- 0.3834

4.32

 

5.05

0.3279

-0.7271

4.32

 

9.22

0.2911

-

-

 

Mean

4.30

Where: A = Absoroance.

Am = Absoroance of molecular form.

Ai = Absoroance of fully ionized form. pH = Measured on day of determination.

Conclusions:
The dissociation constant of pure test substance at 20 °C is 4.30.
Executive summary:

The study was performed to evaluate the dissociation constant of the test substance in water according to OECD TG 112 and in compliance with GLP. The dissociation constant at 20 °C was found to be 4.30 i.e. the substance can be characterised as a weak base.

Description of key information

pKa = 4.3 at 20 °C, OECD TG 112, Husband 1997

Key value for chemical safety assessment

pKa at 20°C:
4.3

Additional information