cis-2,2,4,6-Tetramethyl-1,3-dioxane
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChI: InChI=1S/C8H16O2/c1-6-5-7(2)10-8(3,4)9-6/h6-7H,5H2,1-4H3/t6-,7+
- IUPAC Standard InChIKey: GPKRWHGIASNHBE-KNVOCYPGSA-N
- CAS Registry Number: 17227-17-7
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -496.4 ± 3.5 | kJ/mol | N/A | Pihlaja and Luoma, 1968 | Value computed using ΔfHliquid° value of -539.4±3.4 kj/mol from Pihlaja and Luoma, 1968 and ΔvapH° value of 43±1 kj/mol from missing citation.; DRB |
| ΔfH°gas | -498. ± 3. | kJ/mol | Ccb | Pihlaja and Heikkila, 1967 | ALS |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -539.4 ± 3.4 | kJ/mol | Ccb | Pihlaja and Luoma, 1968 | see Pihlaja and Heikkila, 1967, and Pihlaja, 1968 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4895.4 ± 3.4 | kJ/mol | Ccb | Pihlaja and Luoma, 1968 | see Pihlaja and Heikkila, 1967, and Pihlaja, 1968; Corresponding ΔfHºliquid = -539.36 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 43. ± 1. | kJ/mol | V | Pihlaja and Heikkila, 1967 | ALS |
| ΔvapH° | 42.3 ± 1.2 | kJ/mol | N/A | Pihlaja and Heikkila, 1967 | AC |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 |
|---|---|---|---|---|---|
| C7H13O2+ | 9.332 ± 0.006 | CH3 | EI | Pihlaja and Jalonen, 1971 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 Heikkila, 1967
Pihlaja, K.; Heikkila, J.,
The configurations of isomeric 2,2,4,6-tetramethyl-1,3-dioxanes,
Acta Chem. Scand., 1967, 21, 2430-2434. [all data]
Pihlaja, 1968
Pihlaja, K.,
The energy difference between the chair and skew-boat forms of the 1,3-dioxane ring,
Acta Chem. Scand., 1968, 22, 716-718. [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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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