Registration Dossier
Registration Dossier
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EC number: 279-976-7 | CAS number: 82486-82-6
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 17 Nov 2017 to 09 Feb 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Deviations:
- no
- Principles of method if other than guideline:
- Using a boiling point of 347.10 °C (obtained via computer data search), the vapor pressure was calculated using the Modified Watson Correlation:
Ln(Pvp) = Hvb / (Zb.T.Tb) . [ 1 – {(3-2.Tbp)^m / Tbp} – 2.m. (3 – 2.Tbp.)^(m-1) . ln(Tbp) ]
Pvp = Vapor pressure [atmospheres]
Hvb = Heat of vaporization at the boiling point [cal/mol]
Zb = Compressibility factor (= 0.97)
R = Gas constant [1.987 cal/mol/K]
Tb = Boiling point of the respective substance
Tbp = T/Tb
T = Temperature at which the vapor pressure is to be calculated [K] = 298 K
m = Empirical factor depending on the physical state at T and depending on Tbp (0.19)
Kf = Empirical factor considering the polarity of the test item (1.07) - GLP compliance:
- no
- Remarks:
- The study described in this report was conducted in a facility which operates in accordance with Good Laboratory Practice principles, however no claim of GLP compliance was intended nor is made for this study.
- Type of method:
- other: Vapor pressure was calculated using the Modified Watson Correlation
Test material
- Reference substance name:
- 2-(butylnitroamino)ethyl nitrate
- EC Number:
- 279-976-7
- EC Name:
- 2-(butylnitroamino)ethyl nitrate
- Cas Number:
- 82486-82-6
- Molecular formula:
- C6H13N3O5
- IUPAC Name:
- butyl(nitro)[2-(nitrooxy)ethyl]amine
1
- Specific details on test material used for the study:
- No actual material used, result determined from calculation only.
Results and discussion
Vapour pressure
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0.044 Pa
Applicant's summary and conclusion
- Conclusions:
- The vapor pressure has been calculated to be 4.4 x 10^(-2) Pa at 25 °C.
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