Pentanenitrile

• Formula: C₅H₉N
• Molecular weight: 83.1317
• IUPAC Standard InChI: InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3 Copy

  
• IUPAC Standard InChIKey: RFFFKMOABOFIDF-UHFFFAOYSA-N Copy
• CAS Registry Number: 110-59-8
• 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: Valeronitrile; Butane, 1-cyano-; Butyl cyanide; 1-Cyanobutane; CH3(CH2)3CN; Pentanonitrile; n-Valeronitrile; 1-Butyl cyanide; n-Pentanenitrile
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C₅H₉N⁺ (ion structure unspecified)

Electron affinity determinations

Appearance energy determinations

References

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

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Hammer, Diri, et al., 2003
Hammer, N.I.; Diri, K.; Jordan, K.D.; Desfrancois, C.; Compton, R.N., Dipole-bound anions of carbonyl, nitrile, and sulfoxide containing molecules, J. Chem. Phys., 2003, 119, 7, 3650-3660, https://doi.org/10.1063/1.1590959 . [all data]

Heerma, deRidder, et al., 1969
Heerma, W.; deRidder, J.J.; Dijkstra, G., The electron-impact-induced fragmentation of n-alkyl cyanides, Org. Mass Spectrom., 1969, 2, 1103. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity

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