1,3-Dioxane, 2,2-dimethyl-
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChI: InChI=1S/C6H12O2/c1-6(2)7-4-3-5-8-6/h3-5H2,1-2H3
- IUPAC Standard InChIKey: RPLSBADGISFNSI-UHFFFAOYSA-N
- CAS Registry Number: 695-30-7
- 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: 2,2-Dimethyl-1,3-dioxane
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -112.06 ± 0.48 | kcal/mol | Ccb | Pihlaja and Luoma, 1968 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -862.14 ± 0.48 | kcal/mol | Ccb | Pihlaja and Luoma, 1968 | Corresponding ΔfHºliquid = -112.06 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 397.65 | K | N/A | Eliel and Knoeber, 1968 | Uncertainty assigned by TRC = 1.5 K |
Reaction 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
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By formula: C3H8O2 + C3H6O = C6H12O2 + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -5.5 | kcal/mol | Eqk | Anteunis and Rommelaere, 1970 | liquid phase |
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
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.84 | PE | Asfandiarov and Zykov, 1983 | Vertical value; LBLHLM |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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]
Eliel and Knoeber, 1968
Eliel, E.L.; Knoeber, M.C.,
Conformational Analysis XVI. 1,3-Dioxanes,
J. Am. Chem. Soc., 1968, 90, 3444. [all data]
Anteunis and Rommelaere, 1970
Anteunis, M.; Rommelaere, Y.,
NMR experiments on acetals. XXIX. The ease of acetonide formation of some glycols,
Bull. Soc. Chim. Belg., 1970, 79, 523-530. [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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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