Registration Dossier
Registration Dossier
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EC number: 687-538-5 | CAS number: 18423-20-6
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR Prediction
- Title:
- Unnamed
- Year:
- 2 014
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD PRINCIPLES
- Principles of method if other than guideline:
- Not applicable
- GLP compliance:
- no
- Type of method:
- other: Prediction of the QSAR model: MPBVP v1.43
Test material
- Reference substance name:
- 3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane nitrate
- EC Number:
- 687-538-5
- Cas Number:
- 18423-20-6
- Molecular formula:
- C6H13N5O3
- IUPAC Name:
- 3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane nitrate
Constituent 1
Results and discussion
Vapour pressure
- Temp.:
- ca. 25 °C
- Vapour pressure:
- ca. 0 mm Hg
- Remarks on result:
- other: Selected value of MPBVP v1.43 Modified Grain Method
Applicant's summary and conclusion
- Conclusions:
- Prediction of the QSAR model: MPBVP v1.43
Estimation 1.24E-009 mm Hg (Antoine method) 25 ºC,
Estimation 1.5E-008 mmHg (modified Grain Method) 25ºC
Estimation 3.87E-008 mm Hg (Mackay Method)
Selected value: 1.5E-008 (modified Grain Method) 25ºC
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