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EC number: 947-655-7 | CAS number: -
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
EPIwin
2. MODEL (incl. version number)
v.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS 67815-88-7
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: vapor pressure
- Unambiguous algorithm: modified Grain method
5. APPLICABILITY DOMAIN
broad data base
6. ADEQUACY OF THE RESULT
This result is used to investigate if the substance has a high or low vapor pressure. The value itself is not that important. Only the order of magnitude is important/relevant. - Principles of method if other than guideline:
- QSAR
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Executive summary:
A QSAR calculation with the etablished QSAR tool EPIwin resulted in a calculated vapor pressure of 3.63E-019 Pa using the modified Grain method. It might be speculated on the presision of the obtained result. But without any scientific doupt, the result indicates that the vapor pressure of the substance is very low.
The result of this study is considered to be reliable with restriction.
- Endpoint:
- vapour pressure
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
Referenceopen allclose all
Vapor Pressure Estimations (25 deg C):
(Using BP: 849.79 deg C (estimated))
(Using MP: 349.84 deg C (estimated))
VP: 1.69E-037 mm Hg (Antoine Method)
: 2.26E-035 Pa (Antoine Method)
VP: 2.72E-021 mm Hg (Modified Grain Method)
: 3.63E-019 Pa (Modified Grain Method)
Description of key information
The registered substance has a very low vapor pressure, i.e., the calculated vapor pressure is 3.63E-019 Pa
.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
A QSAR calculation with the established QSAR tool EPIwin resulted in a calculated vapor pressure of 3.63E-019 Pa using the modified Grain method. It might be speculated on the precision of the obtained result. But without any scientific doubt, the result indicates that the vapor pressure of the substance is very low.
The result of this study is considered to be reliable with restriction.
An experimental determination of that vapor pressure is not possible since it is not possible to remove all water from that substance.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
