(1α,3β,5β,7α)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C12H20O/c1-9(2)11(4)6-8-10(3,13-8)7-12(9,11)5/h8H,6-7H2,1-5H3/t8-,10+,11+,12-/m0/s1
- IUPAC Standard InChIKey: ZDZDFGKYHPOEMW-GMNPVEAJSA-N
- CAS Registry Number: 21218-11-1
- 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. - Stereoisomers:
- Other names: 4-Oxatricyclo[5.1.0.0(3,5)-]octane, 3,8,8-trimethyl-, (1α,3β,5β,7α)-
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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 | -25.6 ± 0.8 | kcal/mol | Ccb | Aleshina, Kozina, et al., 1977 | |
| ΔfH°gas | -25.6 ± 0.8 | kcal/mol | Ccb | Kozina, Aleshina, et al., 1977 |
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 | -37.37 ± 0.37 | kcal/mol | Ccb | Aleshina, Kozina, et al., 1977 | |
| ΔfH°liquid | -37.37 ± 0.37 | kcal/mol | Ccb | Kozina, Aleshina, et al., 1977 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1449.67 ± 0.35 | kcal/mol | Ccb | Aleshina, Kozina, et al., 1977 | Corresponding ΔfHºliquid = -37.36 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -1449.67 ± 0.35 | kcal/mol | Ccb | Kozina, Aleshina, et al., 1977 | Corresponding ΔfHºliquid = -37.36 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° | 11.8 ± 0.4 | kcal/mol | C | Aleshina, Kozina, et al., 1977 | ALS |
| ΔvapH° | 11.8 | kcal/mol | N/A | Aleshina, Kozina, et al., 1977 | DRB |
| ΔvapH° | 11.8 ± 0.4 | kcal/mol | C | Kozina, Aleshina, et al., 1977 | ALS |
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.
Aleshina, Kozina, et al., 1977
Aleshina, V.A.; Kozina, M.P.; Gal'chenko, G.L.,
Enthalpy of formation of α-3,4- and β-3,4-epoxycaranes,
Vses. Konf. Kalorim. Rasshir. Tezisy Dokl. 7th, 1977, 1, 85-91. [all data]
Kozina, Aleshina, et al., 1977
Kozina, M.P.; Aleshina, V.A.; Gal'chenko, G.L.; Deshchits, G.V.; Bardyshev, I.L.,
Enthalpies of formation of α- and β-3,4-epoxycaranes,
Vestsi Akad. Nauk. BSSR, Ser. Khim. Nauk., 1977, 94-96. [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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