1,3-Dioxane, 2-methyl-
- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChI: InChI=1S/C5H10O2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3
- IUPAC Standard InChIKey: HDGHQFQMWUTHKL-UHFFFAOYSA-N
- CAS Registry Number: 626-68-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: m-Dioxane, 2-methyl-; 2-Methyl-m-dioxane; 2-Methyl-1,3-dioxane; 2-Methyl-1,3-dioxacyclohexane
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Gas phase thermochemistry data
Go To: Top, 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -397.5 ± 2.8 | kJ/mol | N/A | Pihlaja and Luoma, 1968 | Value computed using ΔfHliquid° value of -436.5±2.6 kj/mol from Pihlaja and Luoma, 1968 and ΔvapH° value of 39±1 kj/mol from missing citation.; DRB |
| ΔfH°gas | -399. ± 3. | kJ/mol | Ccb | Pihlaja and Heikkila, 1967 | ALS |
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 | -436.5 ± 2.6 | kJ/mol | Ccb | Pihlaja and Luoma, 1968 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -2960.3 ± 2.6 | kJ/mol | Ccb | Pihlaja and Luoma, 1968 | Corresponding ΔfHºliquid = -436.43 kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -2959.1 ± 1.0 | kJ/mol | Ccb | Pihlaja and Heikkila, 1967 | Corresponding ΔfHºliquid = -437.65 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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 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 |
|---|---|---|---|
| 10.03 | PE | Asfandiarov and Zykov, 1983 | Vertical value; LBLHLM |
References
Go To: Top, Gas phase thermochemistry data, 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 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]
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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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