Dinitrogen pentoxide

• Formula: N₂O₅
• Molecular weight: 108.0104
• IUPAC Standard InChI: InChI=1S/N2O5/c3-1(4)7-2(5)6 Copy

  
• IUPAC Standard InChIKey: ZWWCURLKEXEFQT-UHFFFAOYSA-N Copy
• CAS Registry Number: 10102-03-1
• 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: dinitrogen pentaoxide
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• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• 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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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 by: 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

0.76 + 0.62 +  =  + 

By formula: 0.76NO₂ + 0.62N₂O₄ + CH₃NO₃ = N₂O₅ + CH₃NO₂

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

Appearance energy determinations

Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   A

State:   X

Additional references: Jacox, 1994, page 370; Jacox, 1998, page 331; Jacox, 2003, page 347; McClelland, Hedberg, et al., 1983; Colmont, 1992; Grabow, Andrews, et al., 1996

Notes

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Ray and Ogg, 1959
Ray, J.D.; Ogg, R.A., Jr., The heat of formation of methyl nitrate, J. Phys. Chem., 1959, 63, 1522-1523. [all data]

Ames and Turner, 1976
Ames, D.L.; Turner, D.W., Photoelectron spectroscopic studies of dinitrogen tetroxide and dinitrogen pentoxide, Proc. R. Soc. London A:, 1976, 348, 175. [all data]

O'Connor, Jones, et al., 1996
O'Connor, C.S.S.; Jones, N.C.; O'Neale, K.; Price, S.D., Electron-impact ionization of dinitrogen pentoxide, Int. J. Mass Spectrom. Ion Processes, 1996, 154, 203. [all data]

Jochims, Denzer, et al., 1992
Jochims, H.-W.; Denzer, W.; Baumgartel, H.; Losking, O.; Willner, H., Photochemical decay reactions of N₂O₅, HNO₃, ClNO₃ and BrNO₃ in the energy range 10-20 eV, Ber. Bunsen-Ges. Phys. Chem., 1992, 96, 573. [all data]

Harwood, Jones, et al., 1993
Harwood, M.H.; Jones, R.L.; Cox, R.A.; Lutman, E.; Rattigan, O.V., Temperature-dependent absorption cross-sections of N2O5, J. Photochem. Photobiol. A: Chem., 1993, 73, 3, 167, https://doi.org/10.1016/1010-6030(93)90001-2 . [all data]

Harwood, Burkholder, et al., 1998
Harwood, M.H.; Burkholder, J.B.; Ravishankara, A.R., Photodissociation of BrONO, J. Phys. Chem. A, 1998, 102, 8, 1309, https://doi.org/10.1021/jp9729829 . [all data]

Fateley, Bent, et al., 1959
Fateley, W.G.; Bent, H.A.; Crawford, B., Jr., Infrared Spectra of the Frozen Oxides of Nitrogen, J. Chem. Phys., 1959, 31, 1, 204, https://doi.org/10.1063/1.1730296 . [all data]

Hisatsune, Devlin, et al., 1962
Hisatsune, I.C.; Devlin, J.P.; Wada, Y., Spectrochim. Acta, 1962, 18, 1641. [all data]

Lovejoy, Chackerian, et al., 1980
Lovejoy, R.W.; Chackerian, C., Jr.; Boese, R.W., Integrated band intensities of gaseous N_2O_5, Appl. Opt., 1980, 19, 5, 744, https://doi.org/10.1364/AO.19.000744 . [all data]

Cantrell, Davidson, et al., 1988
Cantrell, C.A.; Davidson, J.A.; McDaniel, A.H.; Shetter, R.E.; Calvert, J.G., Infrared absorption cross sections for N2O5, Chem. Phys. Lett., 1988, 148, 4, 358, https://doi.org/10.1016/0009-2614(88)87288-9 . [all data]

Bencivenni, Sanna, et al., 1996
Bencivenni, L.; Sanna, N.; Schriver-Mazzuoli, L.; Schriver, A., Infrared spectrum and theoretical study of the dinitrogen pentoxide molecule (N2O5) in solid argon, J. Chem. Phys., 1996, 104, 20, 7836, https://doi.org/10.1063/1.471500 . [all data]

Varetti and Pimentel, 1971
Varetti, E.L.; Pimentel, G.C., Isomeric Forms of Dinitrogen Trioxide in a Nitrogen Matrix, J. Chem. Phys., 1971, 55, 8, 3813, https://doi.org/10.1063/1.1676666 . [all data]

Smith and Guillory, 1977
Smith, G.R.; Guillory, W.A., Spectroscopy of the thermal oxidation of NO in solid oxygen at cryogenic temperatures, J. Mol. Spectrosc., 1977, 68, 2, 223, https://doi.org/10.1016/0022-2852(77)90438-6 . [all data]

Bandow, Akimoto, et al., 1984
Bandow, H.; Akimoto, H.; Akiyama, S.; Tezuka, T., Photolysis of asym-N2O4 (ONONO2) isolated in an argon matrix at 11 K, Chem. Phys. Lett., 1984, 111, 4-5, 496, https://doi.org/10.1016/0009-2614(84)85547-5 . [all data]

Domenech, Fraser, et al., 1997
Domenech, J.L.; Fraser, G.T.; Hight Walker, A.R.; Lafferty, W.J.; Suenram, R.D., Infrared and Microwave Molecular-Beam Studies of N2O5, J. Mol. Spectrosc., 1997, 184, 1, 172, https://doi.org/10.1006/jmsp.1997.7323 . [all data]

De Lucia, Winnewisser, et al., 1989
De Lucia, F.C.; Winnewisser, B.P.; Winnewisser, M.; Pawelke, G., The far-infrared spectrum of N2O5 in the gas phase, J. Mol. Spectrosc., 1989, 136, 1, 151, https://doi.org/10.1016/0022-2852(89)90227-0 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

McClelland, Hedberg, et al., 1983
McClelland, B.W.; Hedberg, L.; Hedberg, K.; Hagen, K., Molecular structure of dinitrogen pentoxide in the gas phase. Large amplitude motion in a system of coupled rotors, J. Am. Chem. Soc., 1983, 105, 12, 3789, https://doi.org/10.1021/ja00350a006 . [all data]

Colmont, 1992
Colmont, J.-M., Microwave spectrum of dinitrogen pentoxide, J. Mol. Spectrosc., 1992, 155, 1, 11, https://doi.org/10.1016/0022-2852(92)90544-X . [all data]

Grabow, Andrews, et al., 1996
Grabow, J.-U.; Andrews, A.M.; Fraser, G.T.; Irikura, K.K.; Suenram, R.D.; Lovas, F.J.; Lafferty, W.J.; Domenech, J.L., Microwave spectrum, large-amplitude motions, and ab initio calculations for N2O5, J. Chem. Phys., 1996, 105, 17, 7249, https://doi.org/10.1063/1.472586 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  AE	Appearance energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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