Registration Dossier
Registration Dossier
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EC number: 201-317-9 | CAS number: 81-04-9
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Reliability:
- 4 (not assignable)
Data source
Materials and methods
Test guideline
- Guideline:
- other: Calculation method ACD, Percepta, 2015
- GLP compliance:
- no
Test material
- Reference substance name:
- Naphthalene-1,5-disulphonic acid
- EC Number:
- 201-317-9
- EC Name:
- Naphthalene-1,5-disulphonic acid
- Cas Number:
- 81-04-9
- Molecular formula:
- C10H8O6S2
- IUPAC Name:
- naphthalene-1,5-disulfonic acid
- Test material form:
- solid: crystalline
- Details on test material:
- Unspecified test material
Constituent 1
Results and discussion
- Dissociating properties:
- yes
Dissociation constantopen allclose all
- No.:
- #1
- pKa:
- >= -0.2 - <= 1
- Remarks on result:
- other: Atom number: 18
- No.:
- #2
- pKa:
- >= -0.2 - <= 0.6
- Remarks on result:
- other: Atom number 12
Applicant's summary and conclusion
- Executive summary:
Calculated with the progam ACD, Precepta, 2015 the following data were estimated:
Strongest pKa(Acid): -0,6 +- 0,4
No base pKa
-0,6 +- 0,4 (Atom number: 18)
0,2 +- 0,4 (Atom number: 12)
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