Registration Dossier
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EC number: 254-296-3 | CAS number: 39108-47-9
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The calculation was using the scientific acceptable software program as recommended in Guideline under REACH Regulation (EC) No 1907/2006.
Data source
Reference
- Reference Type:
- other: unpublished calculation
- Title:
- EPI Suite Results For CAS
- Bibliographic source:
- EPI Suite version 4.11, Copyright 2000-2012 United States Environmental Protection Agency for EPI SuiteTM, online query 02.09.2015
Materials and methods
- Principles of method if other than guideline:
- The calculation was based on Modified Grain Method using recommended MPBPVP (v1.43) module of software EPI Suite v.4.11
The QSPR software complies with the OECD principles which stated in “QSPR prediction of physico-chemical properties for REACH” and was published in the SAR and QSAR in Environment Research in 2013 (Dearden, J.C., Rotureau, P., Fayet G. (2013). QSPR prediction of physico-chemical properties for REACH, SAR and QSAR in Environmental Research, Vol. 24, No.4, 279-318). - GLP compliance:
- no
Test material
- Reference substance name:
- 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
- EC Number:
- 254-296-3
- EC Name:
- 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
- Cas Number:
- 39108-47-9
- Molecular formula:
- C11H14N2O2
- IUPAC Name:
- 1-butyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
- Details on test material:
- - Substance type: organic
- Physical state: solid
Constituent 1
Results and discussion
Vapour pressure
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: using Modified Grain Method
Any other information on results incl. tables
MPBPVP (v1.43) Program Results:
Vapor Pressure Estimations (25 deg C):
(Using BP: 408.65 deg C (estimated))
(Using MP: 155.26 deg C (estimated))
VP |
6.04E-010 mm Hg (Antoine Method) |
|
8.05E-008 Pa (Antoine Method) |
VP |
4.81E-009 mm Hg (Modified Grain Method) |
|
6.41E-007 Pa (Modified Grain Method) |
VP |
5.43E-007 mm Hg (Mackay Method) |
|
7.24E-005 Pa (Mackay Method) |
Selected VP |
4.81E-009 mm Hg (Modified Grain Method) |
|
6.41E-007 Pa (Modified Grain Method) |
Subcooled liquid VP |
1.03E-007 mm Hg (25 deg C, Mod-Grain method) |
|
1.37E-005 Pa (25 deg C, Mod-Grain method) |
Applicant's summary and conclusion
- Conclusions:
- The vapour pressure of substance was calculated to be 6.4 E-7 Pa at 25°C
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