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EC number: 838-538-0 | CAS number: 52139-31-8
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPISUITE v4.11
2. MODEL (incl. version number)
MPBPWIN v1.43 (September 2010)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES: O=C(O)CN
CAS: 56-40-6
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the 'Attached justification' section for a more detailed explanation
5. APPLICABILITY DOMAIN
Please refer to the 'Attached justification' section for a more detailed explanation
6. ADEQUACY OF THE RESULT
Please refer to the 'Attached justification' section for a more detailed explanation - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- - Software tool(s) used including version:
EPISUITE v4.11 - MPBPWIN v1.43 (September 2010)
- Model(s) used: MPBPWIN estimates vapor pressure (VP) by three separate methods: (1) the Antoine method, (2) the modified Grain method, and (3) the Mackay method.
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- no
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- In the present QSAR estimation the vapour pressure of glycine was determined. Glycine is one of the constituents of Manganese monoglycinate. Based on the ionic structure of the Manganese monoglycinate sulfate the vapour pressure cannot be determined without considerable additional effort. Furthemore it is expected that the vapour pressure of Manganese monoglycinate sulfate is lower than that of its main constituent glycine. The vapour pressure of glycine was estimated to be 1.09 E-005 Pa at 25°C. From this low vapour pressure it can be cvonsidered that the vapour pressure of Managanese Monoglycinate sulfate is lower than that of glycine and thus determination is not feasible.
Reference
Description of key information
Based on the ionic structure of the Manganese monoglycinate sulfate the vapour pressure cannot be determined without considerable additional effort. Furthemore it is expected that the vapour pressure of Manganese monoglycinate sulfate is lower than that of its main constituent glycine. The vapour pressure of glycine was estimated to be 1.09 E-005 Pa at 25°C. From this low vapour pressure it can be cvonsidered that the vapour pressure of Managanese Monoglycinate sulfate is lower than that of glycine and thus determination is not feasible.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
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