Registration Dossier
Registration Dossier
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EC number: 601-017-1 | CAS number: 110964-79-9
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: In accordance with Annex VII, point 7.5, column 2, if the melting point is between 200 ° C and 300 °C, a limit value based on measurement or a recognised calculation method is sufficient.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: software
- Title:
- Unnamed
- Year:
- 2 009
Materials and methods
Test guideline
- Guideline:
- other: SPARC used as prescribed in CHAPTER R.7A ENDPOINT SPECIFIC GUIDANCE - R.7.1.5 VAPOUR PRESSURE
- Principles of method if other than guideline:
- Software program that calculates the vapor pressure
- GLP compliance:
- not specified
- Type of method:
- other: estimation
Test material
- Reference substance name:
- NMSBA
- IUPAC Name:
- NMSBA
- Reference substance name:
- 4-methanesulfonyl-2-nitrobenzoic acid
- EC Number:
- 601-017-1
- Cas Number:
- 110964-79-9
- Molecular formula:
- C8 H7 N1 O6 S1
- IUPAC Name:
- 4-methanesulfonyl-2-nitrobenzoic acid
- Details on test material:
- SMILES: S(=O)(=O)(C)-c(ccc1C(=O)O)cc1N(=O)=O
Constituent 1
Constituent 2
Results and discussion
Vapour pressure
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
Any other information on results incl. tables
This value is in line with the value of the melting point.
Applicant's summary and conclusion
- Conclusions:
- The Vapour Pressure has been calculated with SPARC, (Q)SAR listed in the Guidance on information requirements and chemical safety assessment (Chapter R7.a) and has been evaluated 1.14E-06 Pa.
- Executive summary:
The Vapour Pressure has been calculated with SPARC, (Q)SAR listed in the Guidance on information requirements and chemical safety assessment (Chapter R7.a) and has been evaluated 1.14E-06 Pa.
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