Hydroperoxide, 1-ethylbutyl

• Formula: C₆H₁₄O₂
• Molecular weight: 118.1742
• IUPAC Standard InChI: InChI=1S/C6H14O2/c1-3-5-6(4-2)8-7/h6-7H,3-5H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: NMNOLZYZNVYLRJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 24254-56-6
• 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: 3-Hexyl hydroperoxide; 1-Ethylbutyl hydroperoxide; 3-Hydroperoxyhexane
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• Information on this page:
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Condensed 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.

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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Appearance energy determinations

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

Gas Chromatography

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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

Normal alkane RI, non-polar column, temperature ramp

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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.

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]

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]

Facey, Porter, et al., 2005
Facey, P.C.; Porter, R.B.R.; Reese, P.B.; Williams, L.A.D., Biological activity and chemical composition of the essential oil from Jamaican Hyptis verticillata Jacq., J. Agric. Food Chem., 2005, 53, 12, 4774-4777, https://doi.org/10.1021/jf050008y . [all data]

Notes

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• 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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