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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, 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 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° | 12.7 ± 0.1 | kcal/mol | C | Ribeiro da Silva and Amaral, 2009 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
340.2 | 0.013 | Weast and Grasselli, 1989 | BS |
340. | 0.013 | Buckingham and Donaghy, 1982 | BS |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.70 | 301.6 | Flores, Adriana Camarillo, et al., 2009 | AC |
Gas phase ion energetics data
Go To: Top, Phase change 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 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 |
References
Go To: Top, Phase change data, 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.
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, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.