Ethanone, 1-(2-furanyl)-
- Formula: C6H6O2
- Molecular weight: 110.1106
- IUPAC Standard InChIKey: IEMMBWWQXVXBEU-UHFFFAOYSA-N
- CAS Registry Number: 1192-62-7
- 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: Ketone, 2-furyl methyl; Acetylfuran; Methyl 2-furyl ketone; 2-Acetylfuran; 2-Furyl methyl ketone; Furyl methyl ketone; Furan, 2-acetyl-; 1-(2-Furanyl)ethanone; 2-Acetylfurane; (2-Furanyl)-1-ethanone; 1-(2-furanyl)ethanone (acetylfuran); 1-(2-Furanyl)-ethanone (2-acetylfuran); 1-(2-Furyl)ethanone
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Phase change data
Go To: Top, Gas phase ion energetics data, IR Spectrum, 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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 446. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 306. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 53.0 ± 0.6 | kJ/mol | C | Ribeiro da Silva and Amaral, 2009 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
340.2 | 0.013 | Weast and Grasselli, 1989 | BS |
340. | 0.013 | Buckingham and Donaghy, 1982 | BS |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
15.5 | 301.6 | Flores, Adriana Camarillo, et al., 2009 | AC |
Gas phase ion energetics data
Go To: Top, Phase change data, IR Spectrum, 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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C6H6O2+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.02 | PE | Klapstein, MacPherson, et al., 1990 | LL |
9.27 ± 0.05 | EI | Linda, Marino, et al., 1971 | LLK |
IR Spectrum
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Ribeiro da Silva and Amaral, 2009
Ribeiro da Silva, Manuel A.V.; Amaral, Luísa M.P.F.,
Standard molar enthalpies of formation of 2-furancarbonitrile, 2-acetylfuran, and 3-furaldehyde,
The Journal of Chemical Thermodynamics, 2009, 41, 1, 26-29, https://doi.org/10.1016/j.jct.2008.08.004
. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Flores, Adriana Camarillo, et al., 2009
Flores, Henoc; Adriana Camarillo, E.; Mentado, Juan,
Enthalpies of combustion and formation of 2-acetylpyrrole, 2-acetylfuran and 2-acetylthiophene,
Thermochimica Acta, 2009, 493, 1-2, 76-79, https://doi.org/10.1016/j.tca.2009.04.012
. [all data]
Klapstein, MacPherson, et al., 1990
Klapstein, D.; MacPherson, C.D.; O'Brien, R.T.,
The photoelectron spectra and electronic structure of 2-carbonyl furans,
Can. J. Chem., 1990, 68, 747. [all data]
Linda, Marino, et al., 1971
Linda, P.; Marino, G.; Pignataro, S.,
A comparison of sensitivities to substituent effects of five- membered heteroaromatic rings in gas phase ionization,
J. Chem. Soc. B, 1971, 1585. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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