Hydroperoxide, heptyl

• Formula: C₇H₁₆O₂
• Molecular weight: 132.2007
• IUPAC Standard InChI: InChI=1S/C7H16O2/c1-2-3-4-5-6-7-9-8/h8H,2-7H2,1H3 Copy

  
• IUPAC Standard InChIKey: XIOGAMSXYSPUSI-UHFFFAOYSA-N Copy
• CAS Registry Number: 764-81-8
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Heptyl hydroperoxide; 1-Heptyl hydroperoxide; 1-Hydroperoxyheptane; n-C7H15OOH
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• Information on this page:
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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  • Gas Phase Kinetics Database
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Condensed phase thermochemistry data

Go To: Top, Gas phase ion energetics 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 compiled by: Hussein Y. Afeefy, Joel F. Liebman, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry 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, Condensed phase thermochemistry 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.

Pritzkow and Muller, 1956
Pritzkow, W.; Muller, K.A., Uber die energetische stellung der organischen hydroperoxyde und die o-o-bindungsenergie, Chem. Ber., 1956, 89, 2318-2321. [all data]

Ashmore and Burgess, 1977
Ashmore, F.S.; Burgess, A.R., Study of Some Medium Size Alcohols and Hydroperoxides by Photoelectron Spectroscopy, J. Chem. Soc. Faraday Trans. 2, 1977, 73, 1247. [all data]

Burgess, SenSharma, et al., 1968
Burgess, A.R.; SenSharma, D.K.; White, M.J.D., The mass spectrometry of some alkyl peroxy radicals and related alkyl hydroperoxides, Advan. Mass Spectrom., 1968, 4, 345. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions

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