Methane, nitro-

• Formula: CH₃NO₂
• Molecular weight: 61.0400
• IUPAC Standard InChI: InChI=1S/CH3NO2/c1-2(3)4/h1H3 Copy

  
• IUPAC Standard InChIKey: LYGJENNIWJXYER-UHFFFAOYSA-N Copy
• CAS Registry Number: 75-52-5
• 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: Nitromethane; Nitrocarbol; CH3NO2; Nitrometan; UN 1261; NM; NSC 428
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Ion clustering data
  • IR Spectrum
  • UV/Visible spectrum
  • Gas Chromatography
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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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

CH₂NO₂^- +  =

By formula: CH₂NO₂^- + H⁺ = CH₃NO₂

 +  = ( • )

By formula: Cl^- + CH₃NO₂ = (Cl^- • CH₃NO₂)

( • ) +  = ( • 2)

By formula: (Cl^- • CH₃NO₂) + CH₃NO₂ = (Cl^- • 2CH₃NO₂)

 +  = ( • )

By formula: NO₂^- + CH₃NO₂ = (NO₂^- • CH₃NO₂)

C₆H₇N⁺ +  = (C₆H₇N⁺ • )

By formula: C₆H₇N⁺ + CH₃NO₂ = (C₆H₇N⁺ • CH₃NO₂)

Free energy of reaction

(CH₃NO₂^- • ) +  = (CH₃NO₂^- • 2)

By formula: (CH₃NO₂^- • CH₃NO₂) + CH₃NO₂ = (CH₃NO₂^- • 2CH₃NO₂)

CH₆N⁺ +  = (CH₆N⁺ • )

By formula: CH₆N⁺ + CH₃NO₂ = (CH₆N⁺ • CH₃NO₂)

Bond type: Hydrogen bonds of the type NH+-O between organics

CH₂NO₂^- +  = C₂H₅N₂O₄^-

By formula: CH₂NO₂^- + CH₃NO₂ = C₂H₅N₂O₄^-

C₃H₉N₃O₆^- + 3 = C₄H₁₂N₄O₈^-

By formula: C₃H₉N₃O₆^- + 3CH₃NO₂ = C₄H₁₂N₄O₈^-

C₂H₅N₂O₄^- + 2 = C₃H₈N₃O₆^-

By formula: C₂H₅N₂O₄^- + 2CH₃NO₂ = C₃H₈N₃O₆^-

C₃H₈N₃O₆^- + 3 = C₄H₁₁N₄O₈^-

By formula: C₃H₈N₃O₆^- + 3CH₃NO₂ = C₄H₁₁N₄O₈^-

C₄H₁₁N₄O₈^- + 4 = C₅H₁₄N₅O₁₀^-

By formula: C₄H₁₁N₄O₈^- + 4CH₃NO₂ = C₅H₁₄N₅O₁₀^-

C₂H₆N₂O₆^- + 2 = C₃H₉N₃O₈^-

By formula: C₂H₆N₂O₆^- + 2CH₃NO₂ = C₃H₉N₃O₈^-

C₄H₁₂N₄O₈^- + 4 = C₅H₁₅N₅O₁₀^-

By formula: C₄H₁₂N₄O₈^- + 4CH₃NO₂ = C₅H₁₅N₅O₁₀^-

C₃H₉N₃O₈^- + 3 = C₄H₁₂N₄O₁₀^-

By formula: C₃H₉N₃O₈^- + 3CH₃NO₂ = C₄H₁₂N₄O₁₀^-

CH₃N₂O₄^- + 2 = C₂H₆N₃O₆^-

By formula: CH₃N₂O₄^- + 2CH₃NO₂ = C₂H₆N₃O₆^-

C₂H₆ClN₂O₄^- + 3 = C₃H₉ClN₃O₆^-

By formula: C₂H₆ClN₂O₄^- + 3CH₃NO₂ = C₃H₉ClN₃O₆^-

C₁₁H₁₀⁺ +  = (C₁₁H₁₀⁺ • )

By formula: C₁₁H₁₀⁺ + CH₃NO₂ = (C₁₁H₁₀⁺ • CH₃NO₂)

C₂H₆N₃O₆^- + 3 = C₃H₉N₄O₈^-

By formula: C₂H₆N₃O₆^- + 3CH₃NO₂ = C₃H₉N₄O₈^-

C₃H₉N₄O₈^- + 4 = C₄H₁₂N₅O₁₀^-

By formula: C₃H₉N₄O₈^- + 4CH₃NO₂ = C₄H₁₂N₅O₁₀^-

C₅H₁₀NO₂⁺ +  = (C₅H₁₀NO₂⁺ • )

By formula: C₅H₁₀NO₂⁺ + CH₃NO₂ = (C₅H₁₀NO₂⁺ • CH₃NO₂)

C₅H₁₂NO₂⁺ +  = (C₅H₁₂NO₂⁺ • )

By formula: C₅H₁₂NO₂⁺ + CH₃NO₂ = (C₅H₁₂NO₂⁺ • CH₃NO₂)

C₃H₉ClN₃O₆^- + 4 = C₄H₁₂ClN₄O₈^-

By formula: C₃H₉ClN₃O₆^- + 4CH₃NO₂ = C₄H₁₂ClN₄O₈^-

C₄H₁₂N₄O₁₀^- + 4 = C₅H₁₅N₅O₁₂^-

By formula: C₄H₁₂N₄O₁₀^- + 4CH₃NO₂ = C₅H₁₅N₅O₁₂^-

 +  = ( • )

By formula: Li⁺ + CH₃NO₂ = (Li⁺ • CH₃NO₂)

CH₃NO₂^- +  = (CH₃NO₂^- • )

By formula: CH₃NO₂^- + CH₃NO₂ = (CH₃NO₂^- • CH₃NO₂)

 +  = CH₃BrNO₂^-

By formula: Br^- + CH₃NO₂ = CH₃BrNO₂^-

 +  = ( • )

By formula: I^- + CH₃NO₂ = (I^- • CH₃NO₂)

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

Go To: Top, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), References, Notes

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
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

CH₂NO₂^- +  =

By formula: CH₂NO₂^- + H⁺ = CH₃NO₂

Mass spectrum (electron ionization)

Go To: Top, Reaction 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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.

Metz, Cyr, et al., 1991
Metz, R.B.; Cyr, D.R.; Neumark, D.M., Study of the 2B1 and 2A2 States of CH2NO2 via Ultraviolet Photoelectron Spectroscopy of the CH2NO2- Anion, J. Phys. Chem., 1991, 95, 7, 2900, https://doi.org/10.1021/j100160a047 . [all data]

Bartmess, Scott, et al., 1979
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MacKay and Bohme, 1978
MacKay, G.I.; Bohme, D.K., Proton-Transfer Reactions in Nitromethane at 297K, Int. J. Mass Spectrom. Ion Phys., 1978, 26, 4, 327, https://doi.org/10.1016/0020-7381(78)80052-7 . [all data]

Wincel, 2003
Wincel, H., Gas-phase Solvation of Cl-, NO2-, CH2NO2-, CH3NO2-, and CH3NO4- by CH3NO2, Int. J. Mass Spectrom., 2003, 226, 3, 341-353, https://doi.org/10.1016/S1387-3806(03)00066-6 . [all data]

Sieck, 1985
Sieck, L.W., Thermochemistry of Solvation of NO₂^- and C₆H₅NO₂^- by Polar Molecules in the Vapor Phase. Comparison with Cl^- and Variation with Ligand Structure., J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049 . [all data]

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Adams, Schneider, et al., 2009
Adams, C.L.; Schneider, H.; Ervin, K.M.; Weber, J.M., Low-energy photoelectron imaging spectroscopy of nitromethane anions: Electron affinity, vibrational features, anisotropies, and the dipole-bound state, J. Chem. Phys., 2009, 130, 7, 074307, https://doi.org/10.1063/1.3076892 . [all data]

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Notes

Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  T	Temperature
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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