Nitrogen dioxide

• Formula: NO₂
• Molecular weight: 46.0055
• IUPAC Standard InChI: InChI=1S/NO2/c2-1-3 Copy

  
• IUPAC Standard InChIKey: JCXJVPUVTGWSNB-UHFFFAOYSA-N Copy
• CAS Registry Number: 10102-44-0
• 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: Nitrogen oxide; Nitrito; Nitro; Nitrogen peroxide; Azote; Rcra waste number P078; Stickstoffdioxid; Stikstofdioxyde; Nitrogen dioxide (NO2)
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Computational Chemistry Comparison and Benchmark Database
  • Gas Phase Kinetics Database
• Options:
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Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Antoine Equation Parameters

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

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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 as indicated in comments:
B - John E. Bartmess
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

( • 4294967295) +  =

By formula: (NO₂^- • 4294967295NO₂) + NO₂ = NO₂^-

0.76 + 0.62 +  =  + 

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

 +  = 2 + 

By formula: CH₃NO₂ + HNO₃ = 2NO₂ + CH₄O

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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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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]

Thorpe, 1880
Thorpe, T.E., On the Relation Between the Molecular Weights of Substances and their Specific Gravities in the Liquid State, J. Chem. Soc., 1880, 37, 141. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Davidson, Fehsenfeld, et al., 1977
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]

Smith, Lee, et al., 1979
Smith, G.P.; Lee, L.C.; Moseley, J.T., Photodissociation and photodetachment of molecular negative ions. VIII. Nitrogen oxides and hydrates,3500-8250 Å, J. Chem. Phys., 1979, 71, 4034. [all data]

Smith, Lee, et al., 1978
Smith, G.P.; Lee, L.C.; Cosby, P.C.; Peterson, J.R.; Moseley, J.T., Photodissociation and photodetachment of molecular negative ions. V. Atmospheric ions from 7000 to 8400 A), J. Chem. Phys., 1978, 68, 3818. [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]

Silverwood and Thomas, 1967
Silverwood, R.; Thomas, J.H., Reaction between methanol and nitrogen dioxide. Part 1.-Low-temperature reaction and the thermodynamic constants of methyl nitrite, J. Chem. Soc. Faraday Trans., 1967, 63, 2476-2479. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  Tboil	Boiling point
  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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