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Physical & Chemical properties

Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Study period:
December 2009
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Meets generally accepted scientific standards, well documented and acceptable for assessment. This study is considered to be scientifically justified for use as a key study. Read-across is justified on the basis that pyrophosphoric acid is the parent acid for all inorganic pyrophosphates.
Qualifier:
no guideline followed
Principles of method if other than guideline:
No experimental determination of the dissociation constants in water was performed for the test materials as it was anticipated that on performance of the test procedures, as detailed in Method 112 of the OECD Guidelines for Testing of Chemicals, 12 May 1981, that the resulting dissociation constants determined would be that of the parent anions only, for which literature values are available. For example, it is anticipated that different types of orthophosphate will demonstrate significantly different pH values in water due to increasing numbers of protons being substituted with the particular cation on titration with acid or base as appropriate, the actual dissociation constants determined for each compound would be common, i.e. that of the triprotic acid anion. Titrations would also be expected to be similar irrespective of the counter ion.
GLP compliance:
no
Dissociating properties:
yes
No.:
#1
pKa:
0.9
Temp.:
25 °C
No.:
#2
pKa:
2.31
Temp.:
25 °C
No.:
#3
pKa:
6.69
Temp.:
25 °C
No.:
#4
pKa:
9.42
Temp.:
25 °C
Conclusions:

This study is considered to be scientifically justified for use as a key study. Read-across is justified on the basis that pyrophosphoric acid is the parent acid for all inorganic pyrophosphates.

Description of key information

No experimental determination of the dissociation constants in water was performed for the test materials as it was anticipated that on performance of the test procedures, as detailed in Method 112 of the OECD Guidelines for Testing of Chemicals, 12 May 1981, that the resulting dissociation constants determined would be that of the parent anions only, for which literature values are available.

For example, it is anticipated that different types of orthophosphate will demonstrate significantly different pH values in water due to increasing numbers of protons being substituted with the particular cation on titration with acid or base as appropriate, the actual dissociation constants determined for each compound would be common, i.e. that of the triprotic acid anion. Titrations would also be expected to be similar irrespective of the counter ion. Read-across is justified on the basis that pyrophosphoric acid is the parent acid for all inorganic pyrophosphates.

Key value for chemical safety assessment

Additional information

Results:

 No. pKa  Temperature (°C)
 #1  0.9  25
 #2  2.31  25
 #3 6.69  25
 #4  9.42  25