Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:

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: Accept calculation method
Principles of method if other than guideline:
Calculated with ACD/ChemSketch , v. 7.00
GLP compliance:
no
Dissociating properties:
no
No.:
#1
pKa:
6.8
Temp.:
25 °C
Remarks on result:
other: HL/H+L
No.:
#2
pKa:
-0.8
Temp.:
25 °C
Remarks on result:
other: H2L/H+HL
Executive summary:

The dissociation constants of IPPD are pKa(HL/H+L) = 6.8±0.3 and pKa(H2L/H+HL) = -0.8±0.4 at 25 °C, which were calculated by using ACD/Labs, v. 7.00 (Currenta, 2010).

Description of key information

The dissociation constants of IPPD are pKa(HL/H+L) = 6.8±0.3 and pKa(H2L/H+HL) = -0.8±0.40 at 25 °C, which were calculated by using ACD/Labs, v. 7.00 (Currenta, 2010).

Key value for chemical safety assessment

pKa at 20°C:
6.8

Additional information

According to QSAR estimation, this substance presents mainly as neutral equilibrium form under terms of environment, and hence this estimate can be used for chemical safety assessment.