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Diss Factsheets
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EC number: 247-094-1 | CAS number: 25550-51-0
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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 limited documentation / justification
- Justification for type of information:
- QSAR calculation
- Qualifier:
- according to guideline
- Guideline:
- other: Hilal, Said, S. W. Karickhoff and L. A. Carreira, "A Rigorous Test for SPARC's Chemical Reactivity Models: Estimation of More Than 4300 Ionization pKa's," Quant. Struc. Act. Rel., 14, 348 1995
- Principles of method if other than guideline:
- no details given
- GLP compliance:
- no
- Remarks:
- not applicable
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- 4.12
- Temp.:
- 25 °C
- Remarks on result:
- other: 3MTHPA diacid
- No.:
- #1
- pKa:
- 4.12
- Temp.:
- 25 °C
- Remarks on result:
- other: 4MTHPA diacid
- No.:
- #2
- pKa:
- 5.79
- Temp.:
- 25 °C
- Remarks on result:
- other: 3MTHPA diacid
- No.:
- #2
- pKa:
- 5.79
- Temp.:
- 25 °C
- Remarks on result:
- other: 4MTHPA diacid
- No.:
- #1
- pKa:
- 4.12
- Temp.:
- 25 °C
- Remarks on result:
- other: mean value
- No.:
- #2
- pKa:
- 5.79
- Temp.:
- 25 °C
- Remarks on result:
- other: mean value
- Conclusions:
- Acid disocciation derivertives of hexahydroethylohthalic anhydride (MHHPA) had week acidity, pKa #1=4.12 amd pKa#2=5.79.
- Executive summary:
Dissociation constant of hexahydromethylohthalic anhydride (MHHPA) was calculated by SPARC 4.5. It was concluded that it had weak acidity, pKa #1=4.12 and pKa#2=5.79 at 25 degree C (Range given for different isomeric forms of MHHPA).
Reference
SPARC ver.4.5
September 2009 release w4.5.1522-s4.5.1522
http://sparc.chem.uga.edu/sparc/
Description of key information
Dissociation constant: pKa1 = 4.12 and pKa2 = 5.79 at 20 ± 1 °C.
Key value for chemical safety assessment
- pKa at 20°C:
- 4.12
Additional information
Dissociation substance of the test substance MHHPA was calculated by SPARC 4.5. It was concluded that it had weak acidity, pKa1=4.12 and pKa2=5.79.at 25 degree C (Range given for different isomeric forms of MHHPA).
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