Nitric acid, ethyl ester

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Condensed 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-45.51 ± 0.25kcal/molCcbFairbrother, Skinner, et al., 1957ALS
Δfliquid-45.7 ± 0.8kcal/molEqkGray, Pratt, et al., 1956See Gray and Smith, 1954; ALS
Quantity Value Units Method Reference Comment
Δcliquid-313.39 ± 0.23kcal/molCcbFairbrother, Skinner, et al., 1957ALS
Quantity Value Units Method Reference Comment
liquid59.08cal/mol*KN/AGray and Smith, 1954DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
40.70298.Gray and Smith, 1954T = 21 to 293 K.; DH

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

Nitrogen oxide anion + Nitric acid, ethyl ester = (Nitrogen oxide anion • Nitric acid, ethyl ester)

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

Quantity Value Units Method Reference Comment
Δr20.9kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; switching reaction(NO2-)SO2; Keesee, Lee, et al., 1980; M
Quantity Value Units Method Reference Comment
Δr35.3cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; switching reaction(NO2-)SO2; Keesee, Lee, et al., 1980; M

(Nitrogen oxide anion • Sulfur dioxide) + Nitric acid, ethyl ester = (Nitrogen oxide anion • Nitric acid, ethyl ester • Sulfur dioxide)

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

Quantity Value Units Method Reference Comment
Δr7.4kcal/molHPMSWlodek, Luczynski, et al., 1983, 2gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr10.4cal/mol*KHPMSWlodek, Luczynski, et al., 1983, 2gas phase; Entropy change is questionable; M

(Nitrogen oxide anion • 2Nitric acid, ethyl ester) + Nitric acid, ethyl ester = (Nitrogen oxide anion • 3Nitric acid, ethyl ester)

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

Quantity Value Units Method Reference Comment
Δr7.3kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr14.1cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M

(Nitrogen oxide anion • Nitric acid, ethyl ester) + Nitric acid, ethyl ester = (Nitrogen oxide anion • 2Nitric acid, ethyl ester)

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

Quantity Value Units Method Reference Comment
Δr8.5kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr12.8cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M

(NO3 anion • Nitric acid, ethyl ester) + Nitric acid, ethyl ester = (NO3 anion • 2Nitric acid, ethyl ester)

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

Quantity Value Units Method Reference Comment
Δr7.2kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr8.7cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M

NO3 anion + Nitric acid, ethyl ester = (NO3 anion • Nitric acid, ethyl ester)

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

Quantity Value Units Method Reference Comment
Δr17.2kcal/molHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr32.2cal/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; M

Ethanol + Nitric acid = Nitric acid, ethyl ester + Water

By formula: C2H6O + HNO3 = C2H5NO3 + H2O

Quantity Value Units Method Reference Comment
Δr-6.00kcal/molEqkRubtsov, 1986liquid phase; ALS

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

IE (eV) Method Reference Comment
11.22PIWatanabe, Nakayama, et al., 1962RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH2NO3+11.4CH3EIFraser and Paul, 1968RDSH
CH2NO3+10.13 ± 0.11CH3EICollin, 1963RDSH
CH2O+11.76 ± 0.65?EICollin, 1963RDSH
CH3+13.75 ± 0.50?EICollin, 1963RDSH
C2H5+11.86 ± 0.25?EICollin, 1963RDSH
NO2+12.3C2H5OEIFraser and Paul, 1968RDSH
NO2+11.40 ± 0.12C2H5OEICollin, 1962RDSH

References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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.

Fairbrother, Skinner, et al., 1957
Fairbrother, D.M.; Skinner, H.A.; Evans, F.W., The heats of combustion of organic compounds of nitrogen, Trans. Faraday Soc., 1957, 53, 779-783. [all data]

Gray, Pratt, et al., 1956
Gray, P.; Pratt, M.W.T.; Larkin, M.J., 39. The latent heat of vaporization and the thermochemistry of ethyl nitrate, J. Chem. Soc., 1956, 210-212. [all data]

Gray and Smith, 1954
Gray, P.; Smith, P.L., Low-temperature calorimetry and the thermodynamic properties of ethyl nitrate, J. Chem. Soc., 1954, 769-773. [all data]

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

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