Registration Dossier
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EC number: 640-410-2 | CAS number: 2594-75-4
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2018-04-06
- 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:
- It is admitted in ECHA´s Guidance on Information Requirements and Chemical Safety Assessment, Chapter 7a: Endpoint specific guidance (July 2017) that "for substances which decompose during measurement or which are unstable or explosive, determination of the vapour pressure may not be technically possible." In addition, according to the guidance document, "QSAR approaches may be used if determination by experiment is not possible." The determination of the boiling point of the test item using capillary tube in metal block showed that the test item decomposes before boiling at elevated temperatures. Decomposition of the test item may occur as well during the measurement of the vapour pressure at elevated temperatures.
- Qualifier:
- according to guideline
- Guideline:
- other: Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
- Principles of method if other than guideline:
- QSAR prediction using EpiSuite v 4.11/MPBPVP v 1.43
- GLP compliance:
- no
- Type of method:
- other: QSAR calculation
- Specific details on test material used for the study:
- - Name: Methyl-tris acetonoximo-silane
- Smiles: [Si](C)(ON=C(C)C)(ON=C(C)C)ON=C(C)C - Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0.523 Pa
- Remarks on result:
- other: Modified Grain Method
- Conclusions:
- The vapour pressure of the test item was estimated by QSAR and is 0.523 Pa at 25 °C.
- Executive summary:
The vapour pressure of the test item calculated by modified Grain Method at 25 °C is 0.523 Pa. The substance is considered to be in the applicability domain of the model, and despite moderate model accuracy due to the usage of an estimated boiling point for vapour pressure prediction, MPBPVP methodology is considered adequate for a regulatory conclusion.
Reference
See QPRF/QMRF
Description of key information
The vapour pressure of the test item calculated by modified Grain Method at 25 °C is 0.523 Pa. The substance is considered to be in the applicability domain of the model, and despite moderate model accuracy due to the usage of an estimated boiling point for vapour pressure prediction, MPBPVP methodology is considered adequate for a regulatory conclusion.
Key value for chemical safety assessment
- Vapour pressure:
- 0.523 Pa
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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