Nitroethylene

• Formula: C₂H₃NO₂
• Molecular weight: 73.0507
• IUPAC Standard InChI: InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2 Copy

  
• IUPAC Standard InChIKey: RPMXALUWKZHYOV-UHFFFAOYSA-N Copy
• CAS Registry Number: 3638-64-0
• 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.
• Species with the same structure:
  • nitroethene
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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: Robert L. Brown and Stephen E. Stein

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:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman

Electron affinity determinations

Ionization energy determinations

De-protonation reactions

C₂H₂NO₂^- +  =

By formula: C₂H₂NO₂^- + H⁺ = C₂H₃NO₂

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Bartmess, 1980
Bartmess, J.E., Solvent effects on ion-molecule reactions. Vinyl anions vs. conjugate addition, J. Am. Chem. Soc., 1980, 102, 2483. [all data]

Takhistov and Ponomarev, 1994
Takhistov, V.V.; Ponomarev, D.A., Isodesmic reactions and thermochemistry of ions, Org. Mass Spectrom., 1994, 29, 395. [all data]

Pasa-Tolic, Klasine, et al., 1990
Pasa-Tolic, L.; Klasine, L.; McGlynn, S.P., The HeI PE spectrum and electronic structure of nitroethene, Chem. Phys. Lett., 1990, 170, 113. [all data]

Shiga, Yamaoka, et al., 1972
Shiga, T.; Yamaoka, H.; Arakawa, K.; Suguira, T., A negative ion-molecule reaction in nitroethylene, Bull. Chem. Soc. Jpn., 1972, 45, 2065. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  EA	Electron affinity
  Tboil	Boiling point
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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