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, Gas Chromatography, 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° | 8.17 | kcal/mol | N/A | Majer and Svoboda, 1985 |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.261 | 354.4 | Majer and Svoboda, 1985 |
Gas phase ion energetics data
Go To: Top, Phase change data, Gas Chromatography, 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 |
Gas Chromatography
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
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 622. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | Polydimethyl siloxanes | 648. | Zenkevich, Chupalov, et al., 1996 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 734. | Kim. J.H., Ahn, et al., 2004 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, 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]
Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G.,
EXtraction, preparation and identification of volatile compounds in Changyu XO brandy,
Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0
. [all data]
Zenkevich, Chupalov, et al., 1996
Zenkevich, I.G.; Chupalov, A.A.; Herzschuh, R.,
Correlation of the Increments of Gas Chromatographic Retention Indices with the Differences of Innermolecular Energies of Reagents and Products of Chemical Reactions,
Zh. Org. Khim. (Rus.), 1996, 32, 11, 1685-1691. [all data]
Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W.,
Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce,
Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, 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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