(1α,3α,5α,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+/m1/s1
- IUPAC Standard InChIKey: ZDZDFGKYHPOEMW-KLHWPWHYSA-N
- CAS Registry Number: 35671-18-2
- 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,3α,5α,7α)-
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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 | -35.39 ± 0.41 | kcal/mol | Ccb | Aleshina, Kozina, et al., 1977 | |
| ΔfH°liquid | -35.39 ± 0.41 | kcal/mol | Ccb | Kozina, Aleshina, et al., 1977 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1451.65 ± 0.39 | kcal/mol | Ccb | Aleshina, Kozina, et al., 1977 | Corresponding ΔfHºliquid = -35.38 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -1451.65 ± 0.39 | kcal/mol | Ccb | Kozina, Aleshina, et al., 1977 | Corresponding ΔfHºliquid = -35.38 kcal/mol (simple calculation by NIST; no Washburn corrections) |
References
Go To: Top, Condensed phase thermochemistry 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, Condensed phase thermochemistry data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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