- Formula: C5H6O
- Molecular weight: 82.1005
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: KJRRQXYWFQKJIP-UHFFFAOYSA-N
- CAS Registry Number: 930-27-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 3-Methylfuran; 3-Methylfurane
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Gas phase thermochemistry 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 by: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
|Cp,gas (J/mol*K)||Temperature (K)||Reference||Comment|
|37.03||50.||Thermodynamics Research Center, 1997||p=1 bar.|
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
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
|Proton affinity (review)||854.0||kJ/mol||N/A||Hunter and Lias, 1998||HL|
|Gas basicity||821.5||kJ/mol||N/A||Hunter and Lias, 1998||HL|
Ionization energy determinations
|8.64||EI||Spilker and Grutzmacher, 1986||LBLHLM|
|8.58||CTS||Aloisi, Santini, et al., 1975||LLK|
|8.70||PE||Colonna, Distefano, et al., 1979||Vertical value; LLK|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C5H5O+||10.65||H||EI||Spilker and Grutzmacher, 1986||LBLHLM|
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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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.
|Origin||Japan AIST/NIMC Database- Spectrum MS-NW-9299|
|NIST MS number||233387|
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]
Spilker and Grutzmacher, 1986
Spilker, R.; Grutzmacher, H.-F., Isomerization and fragmentation of methylfuran ions and pyran ions in the gas phase, Org. Mass Spectrom., 1986, 21, 459. [all data]
Aloisi, Santini, et al., 1975
Aloisi, G.; Santini, S.; Savelli, G., Molecular complexes of heteroaromatic five membered ring compounds with tetracyanoethylene. Charge transfer spectra, equilibrium constants and ionization potentials of the donors, J. Chem. Soc. Faraday Trans. 1, 1975, 70, 2045. [all data]
Colonna, Distefano, et al., 1979
Colonna, F.P.; Distefano, G.; Guerra, M.; Jones, D.; Modelli, A., Furyl- and thienyl-mercury derivatives studied by means of ultraviolet photoelectron spectroscopy. Evidence for the participation in bonding of the vacant 6p «pi» orbitals of mercury in bis-2-furyl-bis-2-thienylmercury, J. Chem. Soc. Dalton Trans., 1979, 2037. [all data]
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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