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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Dissociation constant

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Internationally accepted method.
Principles of method if other than guideline:
ACD/Labs, I-Lab 2.0 , Algorithm Version: v5.0.0.184
GLP compliance:
no
Dissociating properties:
not determined
No.:
#1
pKa:
11
Remarks on result:
other: Strongest pKa(Acid): 11 ± 0.4. Calculated result obtained from calculation

Strongest pKa(Acid): 11 ± 0.4


Strongest pKa(Base): No Base pKa

Conclusions:
Strongest pKa(Acid): 11 ± 0.4
Strongest pKa(Base): No Base pKa
Executive summary:

Dissociation constant:

Strongest pKa(Acid): 11 ± 0.4

Strongest pKa(Base): No Base pKa

(ACD/Labs, I-Lab 2.0 , Algorithm Version: v5.0.0.184)

Description of key information

Key study: Estimated by calculation: 
Dissociation constant:
Strongest pKa(Acid): 11 ± 0.4
Strongest pKa(Base): No Base pKa
(ACD/Labs, I-Lab 2.0 , Algorithm Version: v5.0.0.184)

Key value for chemical safety assessment

Additional information

Key study: Estimated by calculation:

Dissociation constant:

Strongest pKa(Acid): 11 ± 0.4

Strongest pKa(Base): No Base pKa

(ACD/Labs, I-Lab 2.0 , Algorithm Version: v5.0.0.184)