1,3-Dioxane, 4,4-dimethyl-

• Formula: C₆H₁₂O₂
• Molecular weight: 116.1583
• IUPAC Standard InChI: InChI=1S/C6H12O2/c1-6(2)3-4-7-5-8-6/h3-5H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: GDKSTFXHMBGCPG-UHFFFAOYSA-N Copy
• CAS Registry Number: 766-15-4
• 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.
• Other names: m-Dioxane, 4,4-dimethyl-; 4,4-Dimethyl-m-dioxane; 4,4-Dimethyl-1,3-dioxane; 4,4-Dimethyldioxane-1,3
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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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 compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization 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

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

Lesteva and Timofeev, 1972
Lesteva, T.M.; Timofeev, G.A., Phase equilibria in methanol + 4,4-dimethyl-1,3-dioxane and trimethyl carbinol + 4,4-dimethyl-1,3-dioxane systems, Zh. Prikl. Khim. (Leningrad), 1972, 45, 695-697. [all data]

Farberov and Speranskaya, 1958
Farberov, M.I.; Speranskaya, V.A., Synthesis of β-Chloro Substituted Alcohols and Their Transformations, Zh. Obshch. Khim., 1958, 28, 2151. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Kachalova and Nemtsov, 1968
Kachalova, R.V.; Nemtsov, M.S., Zh. Prikl. Khim. (Leningrad), 1968, 41, 10, 2315. [all data]

Lesteva, Morozova, et al., 1969
Lesteva, T.M.; Morozova, A.I.; Morozova, V.I.; Ogorodnikov, S.K.; Tyvina, T.N., Zh. Prikl. Khim. (S.-Peterburg), 1969, 42, 3, 553. [all data]

Lesteva, Morozova, et al., 1969, 2
Lesteva, T.M.; Morozova, A.I.; Morozova, V.I.; Ogorodnikov, S.K.; Tyrina, T.N., Equilibrium of Liquid-Steam and Liquid-Liquid in System 4,4-Dimethyldioxane-1,3-Methyldihydropyrine-Water, Zh. Prikl. Khim. (Leningrad), 1969, 42, 553-558. [all data]

Asfandiarov and Zykov, 1983
Asfandiarov, N.L.; Zykov, B.G., Photoelectron spectra of methyl-substituted 1,3-Dioxanes, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1983, 10, 2069, In original 2293. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔvapH	Enthalpy of vaporization

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