Butane, 2-ethoxy-
- Formula: C6H14O
- Molecular weight: 102.1748
- 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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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 348. to 349. | K | N/A | Frinton Laboratories Inc., 1986 | BS |
Tboil | 354.4 | K | N/A | Majer and Svoboda, 1985 | |
Tboil | 354.4 | K | N/A | Norris and Rigby, 1932 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 34.2 | kJ/mol | N/A | Majer and Svoboda, 1985 |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
30.38 | 354.4 | Majer and Svoboda, 1985 |
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
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 |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 1185 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Norris and Rigby, 1932
Norris, J.F.; Rigby, G.W.,
Reactivity of Atoms and Groups in Organic Compounds XII. The Preparation and Properties of Mixed Aliphatic Ethers with Special Reference to those Containing the Tert-Butyl Radical,
J. Am. Chem. Soc., 1932, 54, 2088. [all data]
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, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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