- Formula: C6H8O
- Molecular weight: 96.1271
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: AABTWRKUKUPMJG-UHFFFAOYSA-N
- CAS Registry Number: 3710-43-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Furan, 2,4-dimethyl-
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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
|Tboil||367.15||K||N/A||Scharf and Walters, 1978||Uncertainty assigned by TRC = 2. K|
|Tboil||368.65||K||N/A||Schreurs, de Jong, et al., 1976||Uncertainty assigned by TRC = 2. K|
|Tboil||368.25||K||N/A||Galesloot, Brandsma, et al., 1969||Uncertainty assigned by TRC = 0.6 K|
|Tboil||367.9||K||N/A||Morel and Verkade, 1951||Uncertainty assigned by TRC = 0.5 K|
Gas phase ion energetics data
Go To: Top, Phase change 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
View reactions leading to C6H8O+ (ion structure unspecified)
|Proton affinity (review)||894.7||kJ/mol||N/A||Hunter and Lias, 1998||HL|
|Gas basicity||862.3||kJ/mol||N/A||Hunter and Lias, 1998||HL|
Ionization energy determinations
|8.39 ± 0.10||EI||Grutzmacher and Spilker, 1985||LBLHLM|
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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View image of digitized spectrum (can be printed in landscape orientation).
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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||TNO Volatile Compounds in Food - Chemical Concepts|
|NIST MS number||249758|
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Scharf and Walters, 1978
Scharf, H.-D.; Walters, E., A New Synthesis Principle for Furane Derivatives II. Fragmentation and Recycling Condensation of 1,3-Dioxolane-4-ylium Ions, Chem. Ber., 1978, 111, 639. [all data]
Schreurs, de Jong, et al., 1976
Schreurs, P.H.; de Jong, A.J.; Brandsma, L., Recl. Trav. Chim. Pays-Bas, 1976, 95, 75. [all data]
Galesloot, Brandsma, et al., 1969
Galesloot, W.G.; Brandsma, L.; Arens, J.F., Formation of Substituted Furans from Alcohols with A Conjugated Enzyme System, Recl. Trav. Chim. Pays-Bas, 1969, 88, 671. [all data]
Morel and Verkade, 1951
Morel, Th.; Verkade, P.E., A New Method for Synthesis of Furan Derivatives III., Recl. Trav. Chim. Pays-Bas, 1951, 70, 35. [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]
Grutzmacher and Spilker, 1985
Grutzmacher, H.-F.; Spilker, R., Loss of CO from 4,6-dimethyl-2-pyrone and 2,6-dimethyl-4-pyrone radical cations, Org. Mass Spectrom., 1985, 20, 258. [all data]
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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