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
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Phase change 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 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)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Gas phase ion energetics data

Go To: Top, Phase change 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 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)

Go To: Top, Phase change 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

References

Go To: Top, Phase change 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.

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

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

• Symbols used in this document:
  

  Tboil	Boiling point
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.