Dinitrogen tetroxide

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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.

Quantity Value Units Method Reference Comment
Δfgas2.17kcal/molReviewChase, 1998Data last reviewed in September, 1964
Quantity Value Units Method Reference Comment
gas,1 bar72.749cal/mol*KReviewChase, 1998Data last reviewed in September, 1964

Gas Phase Heat Capacity (Shomate Equation)

Cp° = 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
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 500. to 1000.1000. to 6000.
A 8.13880130.74140
B 45.885400.603333
C -36.10361-0.124494
D 10.610300.008755
E -0.037990-2.762199
F -2.125581-14.15540
G 70.2132999.67600
H 2.1699302.169930
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1964 Data last reviewed in September, 1964

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.

Quantity Value Units Method Reference Comment
Δfliquid-4.675kcal/molReviewChase, 1998Data last reviewed in September, 1964
Quantity Value Units Method Reference Comment
liquid,1 bar50.000cal/mol*KReviewChase, 1998Data last reviewed in September, 1964
Quantity Value Units Method Reference Comment
Δfsolid-8.377kcal/molReviewChase, 1998Data last reviewed in September, 1964
Quantity Value Units Method Reference Comment
solid35.942cal/mol*KReviewChase, 1998Data last reviewed in September, 1964

Liquid Phase Heat Capacity (Shomate Equation)

Cp° = 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
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 500.
A 21.31050
B 42.76150
C 0.222146
D 0.000000
E -0.001699
F -12.93790
G 63.02001
H -4.675911
ReferenceChase, 1998
Comment Data last reviewed in September, 1964

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

0.76Nitrogen dioxide + 0.62Dinitrogen tetroxide + Methyl nitrate = Dinitrogen pentoxide + Methyl nitrite

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

Quantity Value Units Method Reference Comment
Δr8.662kcal/molCmRay and Ogg, 1959liquid phase

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
1.6 CN/A
1.4 LN/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:
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

IE (eV) Method Reference Comment
10.8 ± 0.2PEFrost, McDowell, et al., 1977LLK
11.4 ± 0.1PEChong, Frost, et al., 1982Vertical value; LBLHLM
11.5 ± 0.1PENomoto, Achiba, et al., 1979Vertical value; LLK
11.4 ± 0.1PENomoto, Achiba, et al., 1979, 2Vertical value; LLK
11.4 ± 0.1PEGan, Peel, et al., 1977Vertical value; LLK
11.PEYamazaki and Kimura, 1976Vertical value; LLK
11.6PEAmes and Turner, 1976Vertical value; LLK

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:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Tx = 52600 T gas Bass, Ledford, et al., 1976

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Tx = 37700 T gas Bass, Ledford, et al., 1976

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Tx = 29400 gas Bass, Ledford, et al., 1976

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

ag 1 1383 ± 3 Ne Ra Bolduan and Jodl, 1982
1 1383 Ar Ra Tevault and Andrews, 1974
1 1387 ± 3 Xe Ra Bolduan and Jodl, 1982
2 807 ± 3 Ne Ra Bolduan and Jodl, 1982
2 813 Ar Ra Tevault and Andrews, 1974
2 815 ± 3 Xe Ra Bolduan and Jodl, 1982
3 265 ± 3 Ne Ra Bolduan and Jodl, 1982
3 262 Ar Ra Tevault and Andrews, 1974
3 257 ± 3 Xe Ra Bolduan and Jodl, 1982
au 4 82 T gas IR Bibart and Ewing, 1974
Koput, Seibert, et al., 1993
b1g 5 1718 ± 3 Xe Ra Bolduan and Jodl, 1982
6 480 T gas IR Bibart and Ewing, 1974
Koput, Seibert, et al., 1993
6 498 ± 3 Ne Ra Bolduan and Jodl, 1982
6 485 ± 3 Xe Ra Bolduan and Jodl, 1982
b1u 7 425 gas IR Bibart and Ewing, 1974
b2g 8 657 ± 3 Xe Ra Bolduan and Jodl, 1982
b2u 9 1756.76 gas IR DL Bibart and Ewing, 1974
Melen, Carleer, et al., 1992
Luckhaus and Quack, 1993
Domenech, Andrews, et al., 1994
Hepp, Georges, et al., 2000
9 1756.8 vs Ne IR Beckers, Zeng, et al., 2010
9 1749.2 s Ar IR Louis and Crawford, 1965
Bandow, Akimoto, et al., 1984
9 1761 N2 IR Varetti and Pimentel, 1971
9 1750 O2 IR Louis and Crawford, 1965
9 1735 s Ar IR Fateley, Bent, et al., 1959
Louis and Crawford, 1965
9 1737 N2 IR Varetti and Pimentel, 1971
9 1735 O2 IR Louis and Crawford, 1965
10 265 T gas IR Luckhaus and Quack, 1992
b3u 11 1261.08 gas IR DL Fateley, Bent, et al., 1959
Bibart and Ewing, 1974
Luckhaus and Quack, 1992
Luckhaus and Quack, 1993
Domenech, Andrews, et al., 1994
Hepp, Georges, et al., 2000
11 1260.5 vs Ne IR Beckers, Zeng, et al., 2010
11 1257.0 s Ar IR Fateley, Bent, et al., 1959
Louis and Crawford, 1965
Bandow, Akimoto, et al., 1984
11 1261 N2 IR Varetti and Pimentel, 1971
11 1261 O2 IR Louis and Crawford, 1965
12 755.37 gas IR Bibart and Ewing, 1974
Luckhaus and Quack, 1993
12 747.85 gas IR Bibart and Ewing, 1974
Luckhaus and Quack, 1993
Hepp, Georges, et al., 2000
12 749.7 vs Ne IR Beckers, Zeng, et al., 2010
12 755 s Ar IR Louis and Crawford, 1965
12 745.8 Ar IR Louis and Crawford, 1965
12 751 N2 IR Varetti and Pimentel, 1971
12 746 O2 IR Louis and Crawford, 1965
12 755 O2 IR Louis and Crawford, 1965

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

Notes

sStrong
vsVery strong
TTentative assignment or approximate value
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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]

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, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References