1,3-Dioxepin, 4,7-dihydro-
- Formula: C5H8O2
- Molecular weight: 100.1158
- IUPAC Standard InChI: InChI=1S/C5H8O2/c1-2-4-7-5-6-3-1/h1-2H,3-5H2
- IUPAC Standard InChIKey: BAKUAUDFCNFLBX-UHFFFAOYSA-N
- CAS Registry Number: 5417-32-3
- 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: 4,7-Dihydro-1,3-dioxepin
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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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 41.54 | 50. | Dorofeeva O.V., 1992 | p=1 bar. |
| 58.53 | 100. | ||
| 73.09 | 150. | ||
| 87.00 | 200. | ||
| 109.50 | 273.15 | ||
| 117.7 ± 5.0 | 298.15 | ||
| 118.29 | 300. | ||
| 150.85 | 400. | ||
| 179.87 | 500. | ||
| 204.23 | 600. | ||
| 224.48 | 700. | ||
| 241.43 | 800. | ||
| 255.74 | 900. | ||
| 267.88 | 1000. | ||
| 278.22 | 1100. | ||
| 287.07 | 1200. | ||
| 294.67 | 1300. | ||
| 301.20 | 1400. | ||
| 306.86 | 1500. |
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 by: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 399.2 | K | N/A | Aldrich Chemical Company Inc., 1990 |
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 |
|---|---|---|---|
| 9.0 | PE | Zverev, Villem, et al., 1982 | LBLHLM |
| 9.54 | PE | Zverev, Villem, et al., 1982 | Vertical value; LBLHLM |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dorofeeva O.V., 1992
Dorofeeva O.V.,
Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 2. Six-membered, seven-membered and eight-membered rings,
Thermochim. Acta, 1992, 200, 121-150. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Zverev, Villem, et al., 1982
Zverev, V.V.; Villem, Ya.Ya.; Villem, N.V.; Klimovitskii, E.N.; Arbuzov, B.A.,
Photoelectron spectra and intramolecular interactions of dimethoxymethane and 4,7-dihydro-1,3-dioxepin,
J. Gen. Chem. USSR, 1982, 52, 1674, In original 1888. [all data]
Notes
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- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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