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Physical & Chemical properties

Dissociation constant

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Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Principles of method if other than guideline:
no data
GLP compliance:
no
Dissociating properties:
yes
No.:
#1
pKa:
9
Temp.:
20 °C

pKa (HL/H+L) = 9.0 ± 0.20

Conclusions:
The dissociation constant of dibenzylamine was calculated at pKa (HL/H+L) = 9.0 ± 0.20 with ACD 7.0.
Executive summary:

The dissociation constant of dibenzylamine was calculated at pKa (HL/H+L) = 9.0 ± 0.20 with ACD 7.0.

Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Reason / purpose:
reference to same study
Principles of method if other than guideline:
no data
GLP compliance:
not specified
Dissociating properties:
yes
No.:
#1
pKa:
7.7
Remarks on result:
other: pK

temperature not reported.

pK = 7.7 [N(+)-H] in water

Description of key information

The dissociation constant of dibenzylamine was calculated at pKa (HL/H+L) = 9.0 ± 0.20 with ACD 7.0 (Temperature: 20°C). 

Key value for chemical safety assessment

pKa at 20°C:
9

Additional information

According to Reaxys, 2011 (WoE, Key 2), the pK of dibenzylamine is 7.7 [N(+)-H] in water.