5,5-Dimethyl-1,3-dioxane
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChI: InChI=1S/C6H12O2/c1-6(2)3-7-5-8-4-6/h3-5H2,1-2H3
- IUPAC Standard InChIKey: QDCJIPFNVBDLRH-UHFFFAOYSA-N
- CAS Registry Number: 872-98-0
- 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: 1,3-Dioxane, 5,5-dimethyl-; m-Dioxane, 5,5-dimethyl-; 5,5-Dimethyl-m-dioxane
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Gas 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 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 | -100.5 ± 0.57 | kcal/mol | N/A | Pihlaja and Luoma, 1968 | Value computed using ΔfHliquid° value of -461.3±2.2 kj/mol from Pihlaja and Luoma, 1968 and ΔvapH° value of 41±1 kj/mol from missing citation.; DRB |
| ΔfH°gas | -100.67 ± 0.65 | kcal/mol | Ccb | Pihlaja and Heikkila, 1967 | ALS |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Apieson L | 120. | 803. | Kurdina, Markovich, et al., 1969 | not specified, not specified |
References
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, 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]
Kurdina, Markovich, et al., 1969
Kurdina, Z.G.; Markovich, V.E.; Sakharov, V.M.,
Gas chromatography of cyclic O-containing compounds
in Gas chromatography, Issue # 10, NIITEKhim, Moscow, 1969, 128-133. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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