Dinitrogen tetroxide

• Formula: N₂O₄
• Molecular weight: 92.0110
• IUPAC Standard InChI: InChI=1S/N2O4/c3-1(4)2(5)6 Copy

  
• IUPAC Standard InChIKey: WFPZPJSADLPSON-UHFFFAOYSA-N Copy
• CAS Registry Number: 10544-72-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: dinitrogen tetraoxide
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Henry's Law data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes

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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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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.

Liquid 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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law data, Gas phase ion energetics data, 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: Marilyn E. Jacox

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Additional references: Jacox, 1994, page 350; Jacox, 1998, page 321; Jacox, 2003, page 330; Smith and Hedberg, 1956

Notes

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law 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]

Frost, McDowell, et al., 1977
Frost, D.C.; McDowell, C.A.; Westwood, N.P.C., The photoelectron spectrum of dinitrogen tetroxide, J. Electron Spectrosc. Relat. Phenom., 1977, 10, 293. [all data]

Chong, Frost, et al., 1982
Chong, D.P.; Frost, D.C.; Lau, W.M.; McDowell, C.A., Shake-up satellites in HeI photoelectron spectra: N₂O₄ and CH₃NO, Chem. Phys. Lett., 1982, 90, 332. [all data]

Nomoto, Achiba, et al., 1979
Nomoto, K.; Achiba, Y.; Kimura, K., HeII(304 Å) photoelectron spectrum of N₂O₄, Chem. Phys. Lett., 1979, 63, 277. [all data]

Nomoto, Achiba, et al., 1979, 2
Nomoto, K.; Achiba, Y.; Kimura, K., HeI and HeII photoelectron study of N₂O₄, Bull. Chem. Soc. Jpn., 1979, 52, 1614. [all data]

Gan, Peel, et al., 1977
Gan, T.H.; Peel, J.B.; Willett, G.D., Reinterpretation of the photoelectron spectrum of dinitrogen tetroxide, J. Chem. Soc. Faraday Trans. 2, 1977, 73, 1459. [all data]

Yamazaki and Kimura, 1976
Yamazaki, T.; Kimura, K., He I photoelectron spectrum of dinitrogen tetraoxide (N₂O₄), Chem. Phys. Lett., 1976, 43, 502. [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]

Bass, Ledford, et al., 1976
Bass, A.M.; Ledford, A.E., Jr.; Laufer, A.H., Extinction coefficients of NO2 and N2O4, J. Res. Natl. Bur. Std., 1976, 80A, 2, 143, https://doi.org/10.6028/jres.080A.017 . [all data]

Bolduan and Jodl, 1982
Bolduan, F.; Jodl, H.J., Raman spectroscopy on matrix-isolated No+, No-3 and N2O4 in Ne, Chem. Phys. Lett., 1982, 85, 3, 283, https://doi.org/10.1016/0009-2614(82)80294-7 . [all data]

Tevault and Andrews, 1974
Tevault, D.E.; Andrews, L., Spectrochim. Acta, 1974, 30A, 969. [all data]

Bibart and Ewing, 1974
Bibart, C.H.; Ewing, G.E., Vibrational spectrum, torsional potential, and bonding of gaseous N2O4, J. Chem. Phys., 1974, 61, 4, 1284, https://doi.org/10.1063/1.1682051 . [all data]

Koput, Seibert, et al., 1993
Koput, J.; Seibert, J.W.G.; Winnewisser, B.P., The torsional potential energy function of N2O4, Chem. Phys. Lett., 1993, 204, 1-2, 183, https://doi.org/10.1016/0009-2614(93)85625-X . [all data]

Melen, Carleer, et al., 1992
Melen, F.; Carleer, M.; Herman, M., Fourier transform jet spectrum of the ν9 band of N2O4, Chem. Phys. Lett., 1992, 199, 1-2, 124, https://doi.org/10.1016/0009-2614(92)80058-J . [all data]

Luckhaus and Quack, 1993
Luckhaus, D.; Quack, M., High resolution FTIR spectra of "NOX" (NO2, N2O4) in supersonic jet expansions and their rovibrational analysis, J. Mol. Struct., 1993, 293, 213, https://doi.org/10.1016/0022-2860(93)80052-W . [all data]

Domenech, Andrews, et al., 1994
Domenech, J.L.; Andrews, A.M.; Belov, S.P.; Fraser, G.T.; Lafferty, W.J., Infrared diode-laser spectra of the ν9 and ν11 N--O stretching bands of N2O4, J. Chem. Phys., 1994, 100, 10, 6993, https://doi.org/10.1063/1.466900 . [all data]

Hepp, Georges, et al., 2000
Hepp, M.; Georges, R.; Herman, M.; Flaud, J.-M.; Lafferty, W.J., Striking anharmonic resonances in N2O4: supersonic jet fourier transform spectra at 13.3, 7.9, 5.7 and 3.2μm, J. Mol. Struct., 2000, 517/518, 171, https://doi.org/10.1016/S0022-2860(99)00248-3 . [all data]

Beckers, Zeng, et al., 2010
Beckers, H.; Zeng, X.; Willner, H., Intermediates Involved in the Oxidation of Nitrogen Monoxide: Photochemistry of the, Chem. Eur. J., 2010, 16, 5, 1506, https://doi.org/10.1002/chem.200902406 . [all data]

Louis and Crawford, 1965
Louis, R.V.St.; Crawford, B., Jr., Infrared Spectrum of Matrix-Isolated NO2, J. Chem. Phys., 1965, 42, 3, 857, https://doi.org/10.1063/1.1696071 . [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]

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]

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]

Luckhaus and Quack, 1992
Luckhaus, D.; Quack, M., High-resolution FTIR spectra of NO2 and N2O4 in supersonic jet expansions and their rovibrational analysis, Chem. Phys. Lett., 1992, 199, 3-4, 293, https://doi.org/10.1016/0009-2614(92)80121-Q . [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]

Smith and Hedberg, 1956
Smith, D.W.; Hedberg, K., Molecular Structure of Gaseous Dinitrogen Tetroxide, J. Chem. Phys., 1956, 25, 6, 1282, https://doi.org/10.1063/1.1743200 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  S°liquid,1 bar	Entropy of liquid at standard conditions (1 bar)
  S°solid	Entropy of solid at standard conditions
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions

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