1,3-Dioxane, 2-methyl-
- Formula: C5H10O2
- Molecular weight: 102.1317
- 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, 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 | -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 |
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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 377.65 | K | N/A | Eliel and Knoeber, 1968 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 39. ± 1. | kJ/mol | V | Pihlaja and Heikkila, 1967 | ALS |
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 |
---|---|---|---|
10.03 | PE | Asfandiarov and Zykov, 1983 | Vertical value; LBLHLM |
References
Go To: Top, Gas 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]
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]
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, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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