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Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
18.12.2012 - 03.01.2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard test guidelines
Qualifier:
according to
Guideline:
other: as mention below
Principles of method if other than guideline:
Measurement of capacity of a compound to dissociate into respective ions.
GLP compliance:
no
Other quality assurance:
ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
Specific details on test material used for the study:
- Common name: C.I. Pigment Red 169
- Molecular formula: C28H30CuFeN2O3
- SMILEY: CCc1cccc(c1C(=O)O)c2c3cc(c(cc3oc-4c/c(=N\CC)/c(cc24)C)NCC)C.[Fe].[Cu]
- InChi: 1S/C28H30N2O3.Cu.Fe/c1-6-18-10-9-11-19(26(18)28(31)32)27-20-12-16(4)22(29-7-2)14-24(20)33-25-15-23(30-8-3)17(5)13-21(25)27;;/h9-15,29H,6-8H2,1-5H3,(H,31,32);;/b30-23+;;
- Substance type: Organic
- Physical state: Solid
Dissociating properties:
yes
No.:
#1
pKa:
0
Temp.:
23 °C
Remarks on result:
other: 0.00000000000001087 (108.70 x 10-16)
No.:
#2
pKa:
0
Temp.:
23 °C
Remarks on result:
other: 0.00000000000001097(109.70 x 10-16)
No.:
#3
pKa:
0
Temp.:
23 °C
Remarks on result:
other: 0.00000000000001097 (109.70 x 10-16)
Conclusions:
The average pKa value for ferrate(4-), hexakis(cyano-C)-, Et 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate copper(2+) salts(Pigment red 169) was determine to be 0.00000000000001093667 at 23 deg C indicating that it has some dissociation properties.
Executive summary:

The average pKa value for ferrate(4-), hexakis(cyano-C)-, Et 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate copper(2+) salts(Pigment red 169) was determine to be 0.00000000000001093667 at 23 deg C indicating that it has some dissociation properties.

Description of key information

The average pKa value for ferrate(4 -), hexakis(cyano-C)-, Et 2 -[6 -(ethylamino)-3 -(ethylimino)-2,7 -dimethyl-3H-xanthen-9 -yl]benzoate copper(2 +) salts(Pigment red 169) was determine to be 0.00000000000001093667 at 23 deg C indicating that it has some dissociation properties.

Key value for chemical safety assessment

pKa at 20°C:
0

Additional information

The average pKa value for ferrate(4 -), hexakis(cyano-C)-, Et 2 -[6 -(ethylamino)-3 -(ethylimino)-2,7 -dimethyl-3H-xanthen-9 -yl]benzoate copper(2 +) salts(Pigment red 169) was determine to be 0.00000000000001093667 at 23 deg C indicating that it has some dissociation properties.