trans-4,6-Dimethyl-1,3-dioxane
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChI: InChI=1S/C6H12O2/c1-5-3-6(2)8-4-7-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
- IUPAC Standard InChIKey: OCBJIXQOIASAQK-PHDIDXHHSA-N
- CAS Registry Number: 1121-87-5
- Chemical structure:
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Condensed phase thermochemistry data
Go To: Top, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -110.56 ± 0.43 | kcal/mol | Ccb | Pihlaja and Luoma, 1968 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -863.64 ± 0.43 | kcal/mol | Ccb | Pihlaja and Luoma, 1968 | Corresponding ΔfHºliquid = -110.56 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H11O2+ | 9.540 ± 0.003 | H | EI | Pihlaja and Jalonen, 1971 |
References
Go To: Top, Condensed phase 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]
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, 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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