2-(1-Hydroxy-1-methylethyl-2-methyl-1,3-dioxane
- Formula: C8H16O3
- Molecular weight: 160.2108
- IUPAC Standard InChI: InChI=1S/C8H16O3/c1-7(2,9)8(3)10-5-4-6-11-8/h9H,4-6H2,1-3H3
- IUPAC Standard InChIKey: JTBUTVUSECYYFH-UHFFFAOYSA-N
- CAS Registry Number: 39239-96-8
- Chemical structure:
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -153.3 ± 3.3 | kcal/mol | Ccb | Pihlaja and Gelas, 1975 |
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 | -169. ± 2.9 | kcal/mol | Ccb | Pihlaja and Gelas, 1975 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1129.6 ± 1.5 | kcal/mol | Ccb | Pihlaja and Gelas, 1975 | Corresponding ΔfHºliquid = -169.4 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 16.1 ± 0.48 | kcal/mol | E | Pihlaja and Gelas, 1975 | ALS |
| ΔvapH° | 16.0 | kcal/mol | N/A | Pihlaja and Gelas, 1975 | DRB |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pihlaja and Gelas, 1975
Pihlaja, K.; Gelas, J.,
Bond-bond interactions in organic oxygen compounds. VI. Enthalpies of formation of 2-hydroxymethyl-1,3-dioxane and 2-(1-hydroxy-1-methylethyl)-1-methyl-1,3-dioxane. Influence of an intramolecular hydrogen bond on thermochemical stability in the gaseous state,
Finn. Chem. Lett., 1975, 79-82. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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