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EC number: - | CAS number: -
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Principles of method if other than guideline:
- Calculation with use of SPARC pKa online calculator v4.5, chemical reactivity models for estimation of ionisation pKa in water.
- GLP compliance:
- no
- Dissociating properties:
- no
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Principles of method if other than guideline:
- Calculation with use of SPARC pKa online calculator v4.5, chemical reactivity models for estimation of ionisation pKa in water.
- GLP compliance:
- no
- Dissociating properties:
- no
Referenceopen allclose all
For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
No dissociation could be determined within the range pH = -0.2 - 14.
For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
No dissociation could be determined within the range pH = -0.2 - 14.
Description of key information
No dissociation
Key value for chemical safety assessment
Additional information
The dissociation constant of the substance fatty acids, C5-10 (linear and branched), tetraesters with pentaerythritol (CAS 68424 -31 -7) was determined by QSAR calculations with SPARC (v4.5) for the two exemplary components covering both ends of the substance specification. No dissociation could be determined within the range pH = -0.2 -14.
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