Nitric acid

• Formula: HNO₃
• Molecular weight: 63.0128
• IUPAC Standard InChI: InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4) Copy

  
• IUPAC Standard InChIKey: GRYLNZFGIOXLOG-UHFFFAOYSA-N Copy
• CAS Registry Number: 7697-37-2
• 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.
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Henry's Law data
• 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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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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman

Electron affinity determinations

Proton affinity at 298K

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

 +  =

By formula: NO₃^- + H⁺ = HNO₃

Ion clustering 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
B - John E. Bartmess

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

 +  = ( • )

By formula: Br^- + HNO₃ = (Br^- • HNO₃)

Free energy of reaction

( • ) +  = ( • 2)

By formula: (Br^- • HNO₃) + HNO₃ = (Br^- • 2HNO₃)

(HO₄S^- • ) +  = (HO₄S^- • 2)

By formula: (HO₄S^- • HNO₃) + HNO₃ = (HO₄S^- • 2HNO₃)

Free energy of reaction

(HO₄S^- • 2) +  = (HO₄S^- •  • 2)

By formula: (HO₄S^- • 2H₂O₄S) + HNO₃ = (HO₄S^- • HNO₃ • 2H₂O₄S)

Free energy of reaction

(HO₄S^- • 3) +  = (HO₄S^- •  • 3)

By formula: (HO₄S^- • 3H₂O₄S) + HNO₃ = (HO₄S^- • HNO₃ • 3H₂O₄S)

Free energy of reaction

( • ) +  = ( •  • )

By formula: (NO₃^- • HBr) + HNO₃ = (NO₃^- • HNO₃ • HBr)

 +  = ( • )

By formula: NO₃^- + HNO₃ = (NO₃^- • HNO₃)

( • ) +  = ( • 2)

By formula: (NO₃^- • HNO₃) + HNO₃ = (NO₃^- • 2HNO₃)

Free energy of reaction

( • 2) +  = ( • 3)

By formula: (NO₃^- • 2HNO₃) + HNO₃ = (NO₃^- • 3HNO₃)

Free energy of reaction

( • 3) +  = ( • 4)

By formula: (NO₃^- • 3HNO₃) + HNO₃ = (NO₃^- • 4HNO₃)

( • 4) +  = ( • 5)

By formula: (NO₃^- • 4HNO₃) + HNO₃ = (NO₃^- • 5HNO₃)

( • 5) +  = ( • 6)

By formula: (NO₃^- • 5HNO₃) + HNO₃ = (NO₃^- • 6HNO₃)

 +  = ( • )

By formula: Na⁺ + HNO₃ = (Na⁺ • HNO₃)

IR Spectrum

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Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

• liquid; Bruker Tensor 37 FTIR
  0.48208331, 0.48208331, 0.48208331 cm^-1 resolution

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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

State:   ?

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State:   X

Additional references: Jacox, 1994, page 271; Jacox, 1998, page 289; Jacox, 2003, page 274; Millen and Morton, 1960; Cox and Riveros, 1965; Johnston, Chang, et al., 1974; Cazzoli and De Lucia, 1979; Bowman, Helminger, et al., 1981; Ghosh, Blom, et al., 1981; Margitan and Watson, 1982; Messer, De Lucia, et al., 1984; Crownover, Booker, et al., 1988; Tan, Looi, et al., 1991; Tan, Looi, et al., 1991, 2; Turnipseed, Vaghjiani, et al., 1992; Maki, Tan, et al., 1993; Schiffman, Nelson, et al., 1993; Tan, Looi, et al., 1994; Cox, Ellis, et al., 1994; Chou, Petkie, et al., 2002; Petkie, Helminger, et al., 2003

Notes

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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.

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Lloyd, D.R.; Roberts, P.J.; Hillier, I.H., Electronic structure of nitric acid studied by photoelectron spectroscopy and molecular orbital calculation, J. Chem. Soc. Faraday Trans. 2, 1975, 71, 496. [all data]

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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]

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Davidson, J.A.; Fehsenfeld, F.C.; Howard, C.J., The heats of formation of NO₃- and NO₃- association complexes with HNO₃ and HBr, Int. J. Chem. Kinet., 1977, 9, 17. [all data]

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Refaey, K.M.A.; Franklin, J.L., Endoergic ion-molecule-collision processes of negative ions. V. Collision of I- on HNO₃. The electron affinity of NO₃, J. Chem. Phys., 1976, 64, 4810. [all data]

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Perry, Rowe, et al., 1980
Perry, R.A.; Rowe, B.R.; Viggiano, A.A.; Albritton, D.L.; Ferguson, E.E.; Fehsenfeld, F.C., Laboratory Measurements of Stratospheric Sodium Ion Measurements, Geophys. Res. Lett., 1980, 7, 9, 693, https://doi.org/10.1029/GL007i009p00693 . [all data]

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Beddard, G.S.; Giachardi, D.J.; Wayne, R.P., The vacuum ultra-violet absorption spectrum of anhydrous nitric acid, J. Photochem., 1974, 3, 2, 321, https://doi.org/10.1016/0047-2670(74)80041-9 . [all data]

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Okabe, H., Photodissociation of nitric acid and water in the vacuum ultraviolet; vibrational and rotational distributions of OH 2Σ+, J. Chem. Phys., 1980, 72, 12, 6642, https://doi.org/10.1063/1.439123 . [all data]

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Johnston, H.; Graham, R., Gas-phase ultraviolet absorption spectrum of nitric acid vapor, J. Phys. Chem., 1973, 77, 1, 62, https://doi.org/10.1021/j100620a013 . [all data]

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Biaume, F., Nitric acid vapour absorption cross-section spectrum and its photodissociation in the stratosphere, J. Photochem., 1973, 2, 2, 139, https://doi.org/10.1016/0047-2670(73)80012-7 . [all data]

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McGraw, G.E.; Bernitt, D.L.; Hisatsune, I.C., Vibrational Spectra of Isotopic Nitric Acids, J. Chem. Phys., 1965, 42, 1, 237, https://doi.org/10.1063/1.1695682 . [all data]

Cheng, Lee, et al., 1991
Cheng, B.-M.; Lee, J.-W.; Lee, Y.-P., Photolysis of nitric acid in solid argon: the infrared absorption of peroxynitrous acid (HOONO), J. Phys. Chem., 1991, 95, 7, 2814, https://doi.org/10.1021/j100160a034 . [all data]

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Guillory, W.A.; Bernstein, M.L., Infrared spectrum of matrix-isolated nitric acid, J. Chem. Phys., 1975, 62, 3, 1058, https://doi.org/10.1063/1.430519 . [all data]

Chen, Lo, et al., 1992
Chen, W.-J.; Lo, W.-J.; Cheng, B.-M.; Lee, Y.-P., Photolysis of nitric acid in solid nitrogen, J. Chem. Phys., 1992, 97, 10, 7167, https://doi.org/10.1063/1.463541 . [all data]

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Bair, C.H.; Brockman, P., High-resolution spectral measurement of the HNO_3 59-µm band using a tunable diode laser, Appl. Opt., 1979, 18, 24, 4152, https://doi.org/10.1364/AO.18.004152 . [all data]

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Maki, A.G.; Wells, J.S., High-resolution measurement and analysis of the infrared spectrum of nitric acid near 1700 cm-1, J. Mol. Spectrosc., 1980, 82, 2, 427, https://doi.org/10.1016/0022-2852(80)90126-5 . [all data]

May, Webster, et al., 1987
May, R.D.; Webster, C.R.; Molina, L.T., Tunable diode laser measurements of absolute linestrengths in the HNO3 ν2 band near 5.8 μm, J. Quant. Spectrosc. Radiat. Transfer, 1987, 38, 5, 381, https://doi.org/10.1016/0022-4073(87)90032-X . [all data]

Kleiner, Godefroid, et al., 1987
Kleiner, I.; Godefroid, M.; Herman, M.; McKellar, A.R.W., Infrared laser Stark spectrum of HNO_3 at 6 µm, J. Opt. Soc. Amer. B, 1987, 4, 7, 1159, https://doi.org/10.1364/JOSAB.4.001159 . [all data]

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Maki, A.G., High-resolution measurements of the ν2 band of HNO3 and the ν3 band of trans-HONO, J. Mol. Spectrosc., 1988, 127, 1, 104, https://doi.org/10.1016/0022-2852(88)90012-4 . [all data]

Tan, Looi, et al., 1992
Tan, T.L.; Looi, E.C.; Lua, K.T., Improved spectroscopic constants for the ν2 infrared band of HNO3, J. Mol. Spectrosc., 1992, 155, 2, 420, https://doi.org/10.1016/0022-2852(92)90532-S . [all data]

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Webster, C.R.; May, R.D.; Gunson, M.R., Tunable diode laser Stark modulation spectroscopy for rotational assignment of the HNO3 7.5 μm band, Chem. Phys. Lett., 1985, 121, 4-5, 429, https://doi.org/10.1016/0009-2614(85)87208-0 . [all data]

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May, R.D.; Webster, C.R., Measurements of line positions, intensities, and collisional air-broadening coefficients in the HNO3 7.5-μm band using a computer-controlled tunable diode laser spectrometer, J. Mol. Spectrosc., 1989, 138, 2, 383, https://doi.org/10.1016/0022-2852(89)90006-4 . [all data]

Perrin, Flaud, et al., 1993
Perrin, A.; Flaud, J.-M.; Camy-Peyret, C.; Jaouen, V.; Farrenq, R.; Guelachvili, G., et al., Line Intensities in the 11- and 7.6-μm-Band of HNO3, J. Mol. Spectrosc., 1993, 160, 2, 524, https://doi.org/10.1006/jmsp.1993.1199 . [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]

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Maki, A.G.; Wells, J.S., High resolution spectrum of the ν5 band of nitric acid (HNO3) near 880 cm-1, J. Mol. Spectrosc., 1984, 108, 1, 17, https://doi.org/10.1016/0022-2852(84)90283-2 . [all data]

Maki and Wells, 1992
Maki, A.G.; Wells, J.S., Measurement and analysis of the Fermi resonance between ν5 and 2ν9 of nitric acid, J. Mol. Spectrosc., 1992, 152, 1, 69, https://doi.org/10.1016/0022-2852(92)90117-7 . [all data]

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Perrin, A.; Jaouen, V.; Valentin, A.; Flaud, J.-M.; Camy-Peyret, C., The ν5 and 2ν9 Bands of Nitric Acid, J. Mol. Spectrosc., 1993, 157, 1, 112, https://doi.org/10.1006/jmsp.1993.1009 . [all data]

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Maki, A.G.; Olson, W.B., Infrared spectrum of the ν6, ν7, and ν8 bands of NHO3, J. Mol. Spectrosc., 1989, 133, 1, 171, https://doi.org/10.1016/0022-2852(89)90251-8 . [all data]

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Looi, E.C.; Tan, T.L.; Wang, W.F.; Ong, P.P., Improved Spectroscopic Constants for the ν7and ν8Bands of HNO3, J. Mol. Spectrosc., 1996, 176, 1, 222, https://doi.org/10.1006/jmsp.1996.0080 . [all data]

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Wang, W.F.; Looi, E.C.; Tan, T.L.; Ong, P.P., Line Intensities in the ν8Band of HNO3, J. Mol. Spectrosc., 1996, 178, 1, 22, https://doi.org/10.1006/jmsp.1996.0152 . [all data]

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van der Veken, B.J.; Pieters, G.H.; Herman, M.A.; Durig, J.R., Internal rotation in nitric acid, J. Mol. Struct., 1982, 80, 467, https://doi.org/10.1016/0022-2860(82)87274-8 . [all data]

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Sirota, J.M.; Weber, M.; Reuter, D.C.; Perrin, A., HNO3: Absolute Line Intensities for the ν9Fundamental, J. Mol. Spectrosc., 1997, 184, 1, 140, https://doi.org/10.1006/jmsp.1997.7310 . [all data]

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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]

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Cox and Riveros, 1965
Cox, A.P.; Riveros, J.M., Microwave Spectrum and Structure of Nitric Acid, J. Chem. Phys., 1965, 42, 9, 3106, https://doi.org/10.1063/1.1696387 . [all data]

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Johnston, H.S.; Chang, S.-G.; Whitten, G., Photolysis of nitric acid vapor, J. Phys. Chem., 1974, 78, 1, 1, https://doi.org/10.1021/j100594a001 . [all data]

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Margitan, J.J.; Watson, R.T., Kinetics of the reaction of hydroxyl radicals with nitric acid, J. Phys. Chem., 1982, 86, 19, 3819, https://doi.org/10.1021/j100216a022 . [all data]

Messer, De Lucia, et al., 1984
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Crownover, R.L.; Booker, R.A.; De Lucia, F.C.; Helminger, P., The rotational spectrum of nitric acid: The first five vibrational states, J. Quant. Spectrosc. Radiat. Transfer, 1988, 40, 1, 39, https://doi.org/10.1016/0022-4073(88)90029-5 . [all data]

Tan, Looi, et al., 1991
Tan, T.L.; Looi, E.C.; Lua, K.T.; Maki, A.G.; Johns, J.W.C.; Noel, M., High resolution FTIR measurement and analysis of the ν8 band of deuterated nitric acid (DNO3), J. Mol. Spectrosc., 1991, 149, 2, 425, https://doi.org/10.1016/0022-2852(91)90297-N . [all data]

Tan, Looi, et al., 1991, 2
Tan, T.L.; Looi, E.C.; Lua, K.T.; Maki, A.G.; Johns, J.W.C.; Noel, M., Infrared spectrum of the ν9 and 2ν9-ν9 bands of deuterated nitric acid (DNO3), J. Mol. Spectrosc., 1991, 150, 2, 486, https://doi.org/10.1016/0022-2852(91)90243-4 . [all data]

Turnipseed, Vaghjiani, et al., 1992
Turnipseed, A.A.; Vaghjiani, G.L.; Thompson, J.E.; Ravishankara, A.R., Photodissociation of HNO3 at 193, 222, and 248 nm: Products and quantum yields, J. Chem. Phys., 1992, 96, 8, 5887, https://doi.org/10.1063/1.462685 . [all data]

Maki, Tan, et al., 1993
Maki, A.G.; Tan, T.L.; Looi, E.C.; Lua, K.T.; Johns, J.W.C.; Nol, M., Infrared Spectrum of the ν6 and ν7 Bands of Deuterated Nitric Acid (DNO3), J. Mol. Spectrosc., 1993, 157, 1, 248, https://doi.org/10.1006/jmsp.1993.1020 . [all data]

Schiffman, Nelson, et al., 1993
Schiffman, A.; Nelson, D.D., Jr.; Nesbitt, D.J., Quantum yields for OH production from 193 and 248 nm photolysis of HNO3 and H2O2, J. Chem. Phys., 1993, 98, 9, 6935, https://doi.org/10.1063/1.464735 . [all data]

Tan, Looi, et al., 1994
Tan, T.L.; Looi, E.C.; Lua, K.T.; Maki, A.G.; Johns, J.W.C.; Noel, M., FTIR Spectrum of the ν2 Band of Deuterated Nitric-Acid (DNO3), J. Mol. Spectrosc., 1994, 166, 1, 97, https://doi.org/10.1006/jmsp.1994.1175 . [all data]

Cox, Ellis, et al., 1994
Cox, A.P.; Ellis, M.C.; Attfield, C.J.; Ferris, A.C., Microwave spectrum of DNO3, and average structures of nitric and nitrous acids, J. Mol. Struct., 1994, 320, 91, https://doi.org/10.1016/0022-2860(93)08008-R . [all data]

Chou, Petkie, et al., 2002
Chou, S.G.; Petkie, D.T.; Butler, R.A.H.; Miller, C.E., Rotational Spectroscopy of DNO3, J. Mol. Spectrosc., 2002, 211, 2, 284, https://doi.org/10.1006/jmsp.2001.8482 . [all data]

Petkie, Helminger, et al., 2003
Petkie, D.T.; Helminger, P.; Butler, R.A.H.; Albert, S.; De Lucia, F.C., The millimeter and submillimeter spectra of the ground state and excited , , , and vibrational states of, J. Mol. Spectrosc., 2003, 218, 1, 127, https://doi.org/10.1016/S0022-2852(02)00025-5 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  T	Temperature
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization

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