Nitric acid, ethyl ester

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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

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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

References

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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]


Notes

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