Oxirane, 2,3-dimethyl-, trans-
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChI: InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4-/m0/s1
- IUPAC Standard InChIKey: PQXKWPLDPFFDJP-IMJSIDKUSA-N
- CAS Registry Number: 21490-63-1
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Butane, 2,3-epoxy-, trans-; trans-2-Butene Oxide; trans-2-Butylene Oxide; trans-2,3-Dimethyloxirane; trans-2,3-Epoxybutane; 2,3-Butylene oxide (trans); 2,3-Dimethyloxirane, trans; 2,3-Dimethyl-oxirane (E)
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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 |
|---|---|---|---|
| 48.53 | 100. | Durig J.R., 1982 | The impression is formed that authors did not take into account the existence of optical isomers for trans-isomer. In this case, the Rln2 (5.76 J/mol*K) should be added to values of S(T). |
| 73.22 | 200. | ||
| 98.32 | 298.15 | ||
| 124.68 | 400. | ||
| 147.28 | 500. | ||
| 166.52 | 600. | ||
| 182.84 | 700. | ||
| 196.65 | 800. | ||
| 208.78 | 900. | ||
| 218.82 | 1000. |
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C4H8O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.98 | PE | McAlduff and Houk, 1977 | Vertical value; LLK |
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.
Durig J.R., 1982
Durig J.R.,
Vibrational spectra and torsional analysis of cis-2,3-dimethyloxirane and trans-2,3-dimethyloxirane,
J. Mol. Struct., 1982, 95, 59-84. [all data]
McAlduff and Houk, 1977
McAlduff, E.J.; Houk, K.N.,
Photoelectron spectra of substituted oxiranes and thiiranes. Substituent effects on ionization potentials involving σ orbitals,
Can. J. Chem., 1977, 55, 318. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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