Methyl nitrite

• Formula: CH₃NO₂
• Molecular weight: 61.0400
• IUPAC Standard InChI: InChI=1S/CH3NO2/c1-4-2-3/h1H3 Copy

  
• IUPAC Standard InChIKey: BLLFVUPNHCTMSV-UHFFFAOYSA-N Copy
• CAS Registry Number: 624-91-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Nitrous acid, methyl ester; CH3ONO; Methylester kyseliny dusite; Methyl ester of nitrous acid
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ray and Gershon, 1962
Ray, J.D.; Gershon, A.A., The heat of formation of gaseous methyl nitrite, J. Phys. Chem., 1962, 66, 1750-1752. [all data]

Geiseler and Thierfelder, 1961
Geiseler, G.; Thierfelder, W., Bestimmung der bildungswarme des gasformigen methylnitrits, Z. Phys. Chem. (Neue Folge), 1961, 29, 248-257. [all data]

Gray and Pratt, 1958
Gray, P.; Pratt, M.W.T., 687. The thermodynamic functions of methyl nitrite and the potential barrier to free rotation., J. Chem. Soc., 1958, 3403-3412. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Rook, 1982
Rook, Frederick L., Preparation, vapor pressure, and infrared spectrum of methyl nitrite, J. Chem. Eng. Data, 1982, 27, 1, 72-73, https://doi.org/10.1021/je00027a022 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Schroder, Sulzle, et al., 1994
Schroder, D.; Sulzle, D.; Dutuit, O.; Baer, T.; Schwarz, H., Further insight in the surprisingly complex unimolecular fragmentations of the methyl nitrite radical cation, J. Am. Chem. Soc., 1994, 116, 6395. [all data]

Ogden, Shaw, et al., 1983
Ogden, I.K.; Shaw, N.; Danby, C.J.; Powis, I., Competing dissociation channels of nitromethane and methyl nitrite ions and the role of electronic and internal modes of excitation, Int. J. Mass Spectrom. Ion Processes, 1983, 54, 41. [all data]

Gilman, Hsieh, et al., 1983
Gilman, J.P.; Hsieh, T.; Meisels, G.G., The unimolecular decomposition rates of energy selected methylnitrite and deuterated methylnitrite ions, J. Chem. Phys., 1983, 78, 3767. [all data]

Gilman, Hsieh, et al., 1983, 2
Gilman, J.P.; Hsieh, T.; Meisels, G.G., Competition between isomerization and fragmentation of gaseous ions. II. Nitromethane and methylnitrite ions, J. Chem. Phys., 1983, 78, 1174. [all data]

Meisels, Hsieh, et al., 1980
Meisels, G.G.; Hsieh, T.; Gilman, J.P., Ion fragmentation from noninterconverting electronic states, J. Chem. Phys., 1980, 73, 4126. [all data]

Bergmann and Bock, 1975
Bergmann, H.; Bock, H., Photoelectron spectra molecular properties, XLVI nitroso compounds - electron-rich molecules, Z. Naturforsch. B:, 1975, 30, 629. [all data]

Nicholson, 1970
Nicholson, A.J.C., Determination of bond dissociation energies from photoionization efficiency curves in Recent Developments in Mass Spectrometroscopy, ed. K Ogata and T. Hayakawa, Univ. Park Press, Baltimore, MD, 1970, 745. [all data]

Burgers and Holmes, 1984
Burgers, P.C.; Holmes, J.L., The generation of triplet methoxy cations, Org. Mass Spectrom., 1984, 19, 452. [all data]

Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L., Excess energies in mass spectra of some oxygen-containing organic compounds, J. Chem. Soc. Faraday Trans., 1969, 65, 1794. [all data]

Martin, Lampe, et al., 1966
Martin, R.H.; Lampe, F.W.; Taft, R.W., An electron-impact study of ionization and dissociation in methoxy- and halogen- substituted methanes, J. Am. Chem. Soc., 1966, 88, 1353. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy
  ΔcH°gas	Enthalpy of combustion of gas at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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