1,3-Dioxane, 2,4,6-trimethyl-, (2α,4α,6α)-

• Formula: C₇H₁₄O₂
• Molecular weight: 130.1849
• IUPAC Standard InChI: InChI=1S/C7H14O2/c1-5-4-6(2)9-7(3)8-5/h5-7H,4H2,1-3H3/t5-,6+,7- Copy

  
• IUPAC Standard InChIKey: OQGOSNRNRKMTEX-KVSKUHBBSA-N Copy
• CAS Registry Number: 19145-91-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • 1,3-Dioxane,2,4,6-trimethyl-,(2α,4α,6β)-
• Other names: m-Dioxane, 2,4,6-trimethyl-, cis-2,4,cis-2,6-; cis-2,4,6-Trimethyl-1,3-Dioxane; (2α,4α,6α)-2,4,6-Trimethyl-1,3-dioxane; cis-2-R-4-trans-6-Trimethyl-1,3-dioxane
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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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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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

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

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.

Pihlaja and Luoma, 1968
Pihlaja, K.; Luoma, S., Heats of formation and conformational energies of 1,3-dioxane and its methyl homologues, Acta Chem. Scand., 1968, 22, 2401-2414. [all data]

Pihlaja and Jalonen, 1971
Pihlaja, K.; Jalonen, J., Appearance potentials determined by the electron-impact method as an analytical aid in the evaluation of conformational energies and clarification of ring conformation-I: Appearance potentials of the [M-R]⁺ ions formed in the primary fragmentation of stereoisomeric 1,3-dioxans. A direct route to conformational energies, Org. Mass Spectrom., 1971, 5, 1363. [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
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions

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