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Nitric acid, ethyl ester

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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

Quantity Value Units Method Reference Comment
Deltafgas-155. ± 3.kJ/molEqkGray, Pratt, et al., 1956See Gray and Smith, 1954

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
Deltafliquid-190.4 ± 1.0kJ/molCcbFairbrother, Skinner, et al., 1957ALS
Deltafliquid-191. ± 3.kJ/molEqkGray, Pratt, et al., 1956See Gray and Smith, 1954; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1311.2 ± 0.96kJ/molCcbFairbrother, Skinner, et al., 1957ALS
Quantity Value Units Method Reference Comment
liquid247.2J/mol*KN/AGray and Smith, 1954DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
170.3298.Gray and Smith, 1954T = 21 to 293 K.; DH

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil360.4KN/AWeast and Grasselli, 1989BS
Tboil360.9KN/ALecat, 1947Uncertainty assigned by TRC = 0.5 K; TRC
Tboil361.9KN/ALecat, 1927Uncertainty assigned by TRC = 0.5 K; TRC
Tboil361.85KN/ATimmermans and Mattaar, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Tboil360.75KN/APerkin, 1889Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus171.15KN/ATimmermans and Mattaar, 1921Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple178.6KN/AGray and Smith, 1954, 2Uncertainty assigned by TRC = 0.2 K; adiabatic calorimeter; TRC
Quantity Value Units Method Reference Comment
Deltavap36.28kJ/molVGray and Pratt, 1957ALS
Deltavap36.kJ/molVGray, Pratt, et al., 1956See Gray and Smith, 1954; ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
37.288.AStephenson and Malanowski, 1987Based on data from 273. - 361. K. See also Dykyj, 1970.; AC
37.3288.N/AGray and Pratt, 1957, 2Based on data from 273. - 343. K.; AC
37.288.N/AGray, Pratt, et al., 1956, 2Based on data from 273. - 333. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
273. - 333.4.285231337.035-48.37Gray, Pratt, et al., 1956Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
8.527178.6Gray and Smith, 1954DH
8.53178.6Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
47.74178.6Gray and Smith, 1954DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 bullet Nitric acid, ethyl ester)

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

Quantity Value Units Method Reference Comment
Deltar87.4kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; switching reaction(NO2-)SO2; Keesee, Lee, et al., 1980; M
Quantity Value Units Method Reference Comment
Deltar148.J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; switching reaction(NO2-)SO2; Keesee, Lee, et al., 1980; M

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

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

Quantity Value Units Method Reference Comment
Deltar31.kJ/molHPMSWlodek, Luczynski, et al., 1983, 2gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar43.5J/mol*KHPMSWlodek, Luczynski, et al., 1983, 2gas phase; Entropy change is questionable; M

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

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

Quantity Value Units Method Reference Comment
Deltar31.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar59.0J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M

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

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

Quantity Value Units Method Reference Comment
Deltar36.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar53.6J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M

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

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

Quantity Value Units Method Reference Comment
Deltar30.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar36.J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable; M

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

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

Quantity Value Units Method Reference Comment
Deltar72.0kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Deltar135.J/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
Deltar-25.1kJ/molEqkRubtsov, 1986liquid phase; ALS

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)

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

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference
1.65400.MN/A

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

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

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

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

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

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

Quantity Value Units Method Reference Comment
Deltar87.4kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; switching reaction(NO2-)SO2; Keesee, Lee, et al., 1980
Quantity Value Units Method Reference Comment
Deltar148.J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; switching reaction(NO2-)SO2; Keesee, Lee, et al., 1980

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

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

Quantity Value Units Method Reference Comment
Deltar36.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Deltar53.6J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable

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

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

Quantity Value Units Method Reference Comment
Deltar31.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Deltar59.0J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable

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

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

Quantity Value Units Method Reference Comment
Deltar31.kJ/molHPMSWlodek, Luczynski, et al., 1983, 2gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Deltar43.5J/mol*KHPMSWlodek, Luczynski, et al., 1983, 2gas phase; Entropy change is questionable

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

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

Quantity Value Units Method Reference Comment
Deltar72.0kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase
Quantity Value Units Method Reference Comment
Deltar135.J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase

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

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

Quantity Value Units Method Reference Comment
Deltar30.kJ/molHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable
Quantity Value Units Method Reference Comment
Deltar36.J/mol*KHPMSWlodek, Luczynski, et al., 1983gas phase; Entropy change is questionable

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

Data compiled by: Coblentz Society, Inc.


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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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-IW-1349
NIST MS number 233251

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, References, Notes

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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-1611.9Helmig, Pollock, et al., 199630. m/0.25 mm/1. «mu»m, 6. K/min; Tstart: -50. C; Tend: 180. C
CapillaryDB-5631.5Helmig, Pollock, et al., 199660. m/0.33 mm/0.25 «mu»m, 6. K/min; Tstart: -50. C; Tend: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySOLGel-Wax969.Johanningsmeier and McFeeters, 201130. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

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]

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]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Lecat, 1947
Lecat, M., Orthobaric Azeotropes of Sulfides, Bull. Cl. Sci., Acad. R. Belg., 1947, 33, 160-82. [all data]

Lecat, 1927
Lecat, M., New binary azeotropes: 6th list, Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 63-71. [all data]

Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F., Freezing points of orgainic substances VI. New experimental determinations., Bull. Soc. Chim. Belg., 1921, 30, 213. [all data]

Perkin, 1889
Perkin, W.H., The Magneto Rotatory Power of Nitrogne Compounds. also of Hydrochloric Hydrobromic and Hydroioidic Acids and of some of the Salts of Ammonia and the Compound Ammonias, J. Chem. Soc., 1889, 55, 680. [all data]

Gray and Smith, 1954, 2
Gray, P.; Smith, P.L., Low-temperature calorimetry and the thermodynamic properties of ethyl nitrate, J. Chem. Soc., 1954, 1954, 769-73. [all data]

Gray and Pratt, 1957
Gray, P.; Pratt, M.W.T., The latent heats of vaporization of the alkyl nitrates, J. Chem. Soc., 1957, 2163-21. [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]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Gray and Pratt, 1957, 2
Gray, Peter; Pratt, M.W.T., 414. The latent heats of vaporization of the alkyl nitrates, J. Chem. Soc., 1957, 2163, https://doi.org/10.1039/jr9570002163 . [all data]

Gray, Pratt, et al., 1956, 2
Gray, Peter; Pratt, M.W.T.; Larkin, M.J., 39. The latent heat of vaporization and the thermochemistry of ethyl nitrate, J. Chem. Soc., 1956, 210, https://doi.org/10.1039/jr9560000210 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [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]

Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P., Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii, J. Geophys. Res., 1996, 101, D9, 14697-14710, https://doi.org/10.1029/96JD00212 . [all data]

Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F., Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS), J. Food Sci., 2011, 76, 1, c168-c177, https://doi.org/10.1111/j.1750-3841.2010.01918.x . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References