Registration Dossier
Registration Dossier
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EC number: 252-279-5 | CAS number: 34907-26-1
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- Not applicable – (Q)SAR analysis using EPIWIN
- Reliability:
- 1 (reliable without restriction)
- 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
- Justification for type of information:
- Melting point is between 200 and 300 degrees C. Therefore it is valid to report a (Q)SAR calculated value for vapour pressure. The results are derived from a valid (Q)SAR model and fall into its applicability domain, with adequate and reliable documentation / justification. See attached justification for full details.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- (Q)SAR analysis was performed using the EIPWIN suite of programs. Specific details on the calculations performed and the input parameters can be found in the attached report.
- GLP compliance:
- no
- Type of method:
- other: (Q)SAR analysis using EPIWIN
Test material
- Reference substance name:
- N,N,N-trimethyl-3-nitroanilinium chloride
- EC Number:
- 252-279-5
- EC Name:
- N,N,N-trimethyl-3-nitroanilinium chloride
- Cas Number:
- 34907-26-1
- Molecular formula:
- C9H13N2O2.Cl
- IUPAC Name:
- N,N,N-trimethyl-3-nitroanilinium chloride
- Test material form:
- other: In silico, relevant form and other descriptive physical parametes described in individual calculations
- Details on test material:
- In Silico test material for calculations. SMILES code = N(=O)(=O)(C1CC(N(CL)(C)(C)C)ccc1)
Constituent 1
Results and discussion
Vapour pressure
- Key result
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
Applicant's summary and conclusion
- Conclusions:
- (Q)SAR analysis was performed using the EIPWIN suite of programs. Specific details on the calculations performed and the input parameters can be found in the attached report. MPBPVP v1.43 was used to calculate boiling point, melting point and vapour pressure. Vapour pressure of 9.4E-007 Pa was found using the modified grain method.
- Executive summary:
(Q)SAR analysis was performed using the EIPWIN suite of programs. Specific details on the calculations performed and the input parameters can be found in the attached report. MPBPVP v1.43 was used to calculate boiling point, melting point and vapour pressure. Vapour pressure of 9.4E-007 Pa was found using the modified grain method.
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