Butane, 2-ethoxy-
- Formula: C6H14O
- Molecular weight: 102.1748
- IUPAC Standard InChI: InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3
- IUPAC Standard InChIKey: VSCUCHUDCLERMY-UHFFFAOYSA-N
- CAS Registry Number: 2679-87-0
- 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: Ether, sec-butyl ethyl; sec-Butyl Ethyl ether; Ethyl sec-butyl ether; sec-C4H9OC2H5; 2-Ethoxybutane
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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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.2 ± 0.1 | EI | Audier, Bouchoux, et al., 1982 | LBLHLM |
| 9.32 | EI | Holmes, Fingas, et al., 1981 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C3H7O+ | 10.1 ± 0.1 | C2H5 | EI | Tsang and Harrison, 1970 | RDSH |
| C4H8+ | 10.5 ± 0.1 | C2H6O | EI | Audier, Bouchoux, et al., 1982 | LBLHLM |
| C4H9O+ | 9.7 ± 0.1 | C2H5 | EI | Audier, Bouchoux, et al., 1982 | LBLHLM |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Audier, Bouchoux, et al., 1982
Audier, H.E.; Bouchoux, G.; Hoppilliard, Y.; Milliet, A.,
The mechanism of formation of [C4H9O]+ ions from isobutyl etyhyl ether,
Org. Mass Spectrom., 1982, 17, 382. [all data]
Holmes, Fingas, et al., 1981
Holmes, J.L.; Fingas, M.; Lossing, F.P.,
Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations,
Can. J. Chem., 1981, 59, 80. [all data]
Tsang and Harrison, 1970
Tsang, C.W.; Harrison, A.G.,
Four-centred rearrangements in the mass spectra of aliphatic ethers,
Org. Mass Spectrom., 1970, 3, 647. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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