Nitric acid, ethyl ester

• Formula: C₂H₅NO₃
• Molecular weight: 91.0660
• IUPAC Standard InChI: InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3 Copy

  
• IUPAC Standard InChIKey: IDNUEBSJWINEMI-UHFFFAOYSA-N Copy
• CAS Registry Number: 625-58-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Ethyl nitrate; C2H5ONO2; Nitric ether; Ethylester kyseliny dusicne; NA 1993
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• Information on this page:
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Ion clustering data
  • IR Spectrum
  • Gas Chromatography
• Data at other public NIST sites:
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  • Gas Phase Kinetics Database
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Reaction 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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

 +  = ( • )

By formula: NO₂^- + C₂H₅NO₃ = (NO₂^- • C₂H₅NO₃)

( • ) +  = ( •  • )

By formula: (NO₂^- • O₂S) + C₂H₅NO₃ = (NO₂^- • C₂H₅NO₃ • O₂S)

( • 2) +  = ( • 3)

By formula: (NO₂^- • 2C₂H₅NO₃) + C₂H₅NO₃ = (NO₂^- • 3C₂H₅NO₃)

( • ) +  = ( • 2)

By formula: (NO₂^- • C₂H₅NO₃) + C₂H₅NO₃ = (NO₂^- • 2C₂H₅NO₃)

( • ) +  = ( • 2)

By formula: (NO₃^- • C₂H₅NO₃) + C₂H₅NO₃ = (NO₃^- • 2C₂H₅NO₃)

 +  = ( • )

By formula: NO₃^- + C₂H₅NO₃ = (NO₃^- • C₂H₅NO₃)

 +  =  + 

By formula: C₂H₆O + HNO₃ = C₂H₅NO₃ + H₂O

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

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 compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Wlodek, Luczynski, et al., 1983
Wlodek, S.; Luczynski, Z.; Wincel, H., Gas - Phase Solvation of NO2- and NO3- by Ethyl Nitrate, Int. J. Mass Spectrom. Ion Phys., 1983, 52, 2-3, 149, https://doi.org/10.1016/0020-7381(83)85036-0 . [all data]

Keesee, Lee, et al., 1980
Keesee, R.G.; Lee, N.; Castleman, A.W., Jr., Properties of clusters in the gas phase: V. Complexes of neutral molecules onto negative ions, J. Chem. Phys., 1980, 73, 2195. [all data]

Wlodek, Luczynski, et al., 1983, 2
Wlodek, S.; Luczynski, Z.; Wincel, H., Gas phase complexes of NO₂^- and NO₃^- with SO₂, Int. J. Mass Spectrom. Ion Processes, 1983, 49, 301. [all data]

Rubtsov, 1986
Rubtsov, Yu.I., Thermodynamic calculation of equilibrium in nitration of alcohols, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1986, 19-22. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Fraser and Paul, 1968
Fraser, R.T.M.; Paul, N.C., The mass spectrometry of nitrate esters and related compounds. Part I, J. Chem. Soc. B, 1968, 659. [all data]

Collin, 1963
Collin, J.E., L'ionisation et la dissociation du nitrate d'ethyle sous l'impact electronique, et le potential d'ionisation du dioxyde d'azote, Bull. Soc. Roy. Sci. Liege, 1963, 32, 133. [all data]

Collin, 1962
Collin, J.E., Ionization potential of NO₂, Nature, 1962, 196, 373. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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