Furfural
- Formula: C5H4O2
- Molecular weight: 96.0841
- IUPAC Standard InChIKey: HYBBIBNJHNGZAN-UHFFFAOYSA-N
- CAS Registry Number: 98-01-1
- 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. - Species with the same structure:
- Other names: 2-Furancarboxaldehyde; 2-Furaldehyde; α-Furole; Artificial ant oil; Fural; Furaldehyde; Furale; Furancarbonal; Furfuraldehyde; Furfurole; Furfurylaldehyde; Furole; Pyromucic aldehyde; 2-Formylfuran; 2-Furanaldehyde; 2-Furancarbonal; 2-Furfural; 2-Furfuraldehyde; 2-Furylaldehyde; Furol; 2-Furylmethanal; Artificial oil of ants; Furfurale; Furfurol; NCI-C56177; 2-Furil-metanale; 2-Furankarbaldehyd; Rcra waste number U125; 2-Furylcarboxaldehyde; Qo furfural; Furan-2-aldehyde; Furan-2-carbaldehyde; NSC 8841; 2-furancarboxyaldehyde; furfural (2-furancarboxaldehyde); 2-Furancarboxaldehyde (furfural); furancarboxaldehyde (furfural)
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- 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.
Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -149.6 | kJ/mol | N/A | Avramescu and Isagescu, 1978 | Value computed using ΔfHliquid° value of -200.2 kj/mol from Avramescu and Isagescu, 1978 and ΔvapH° value of 50.63±0.42 kj/mol from missing citation.; DRB |
ΔfH°gas | -151.04 | kJ/mol | Cm | Kudchadker and Kudchadker, 1975 | ALS |
ΔfH°gas | -144.3 | kJ/mol | N/A | Miller, 1936 | Value computed using ΔfHliquid° value of -194.9 kj/mol from Miller, 1936 and ΔvapH° value of 50.63±0.42 kj/mol from missing citation.; DRB |
ΔfH°gas | -151.4 | kJ/mol | N/A | Landrieu, Baylocq, et al., 1929 | Value computed using ΔfHliquid° value of -202 kj/mol from Landrieu, Baylocq, et al., 1929 and ΔvapH° value of 50.63±0.42 kj/mol from missing citation.; DRB |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
46.95 | 100. | Kudchadker S.A., 1975 | GT |
56.92 | 150. | ||
69.35 | 200. | ||
90.68 | 273.15 | ||
98.09 | 298.15 | ||
98.63 | 300. | ||
125.94 | 400. | ||
148.11 | 500. | ||
165.50 | 600. | ||
179.15 | 700. | ||
190.02 | 800. | ||
198.79 | 900. | ||
205.97 | 1000. | ||
211.91 | 1100. | ||
216.87 | 1200. | ||
221.04 | 1300. | ||
224.58 | 1400. | ||
227.60 | 1500. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C11H10N2O + H2O = C6H8N2 + C5H4O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -61.9 | kJ/mol | Cm | Landrieu, 1905 | solid phase |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.22 ± 0.01 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.22 | PE | Klapstein, MacPherson, et al., 1990 | LL |
9.50 ± 0.05 | EI | Linda, Marino, et al., 1971 | LLK |
9.22 | PE | Dewar and Worley, 1969 | RDSH |
9.21 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.22 | PE | Klapstein, MacPherson, et al., 1990 | Vertical value; LL |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes
Data compiled by: Coblentz Society, Inc.
- LIQUID (NEAT); PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 4000-1330 CM-1, 10% IN CS2 FOR 1330-600 CM-1); BECKMAN IR-7 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- VAPOR (5 MICROLITER AT 150 C); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2-3 CM-1 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, UV/Visible 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 118785 |
UV/Visible spectrum
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
Source | Grammaticakis, 1953 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 2507 |
Instrument | n.i.g. |
Melting point | -36.5 |
Boiling point | 161.7 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Avramescu and Isagescu, 1978
Avramescu, F.; Isagescu, D.A.,
Heats of combustion of mono- and difurfurylidene acetone,
Rev. Roum. Chim., 1978, 23, 655-659. [all data]
Kudchadker and Kudchadker, 1975
Kudchadker, S.A.; Kudchadker, A.P.,
Thermodynamic properties of oxygen compounds. III. Benzaldehyde and furfural (2-furaldehyde),
Ber. Bunsenges. Phys. Chem., 1975, 12, 432-437. [all data]
Miller, 1936
Miller, P.,
The free energy of furfural and some of its derivatives,
Iowa State Coll. J. Sci., 1936, 10, 91-93. [all data]
Landrieu, Baylocq, et al., 1929
Landrieu, P.; Baylocq, F.; Johnson, J.R.,
Etude thermochimique dans la serie furanique,
Bull. Soc. Chim. France, 1929, 45, 36-49. [all data]
Kudchadker S.A., 1975
Kudchadker S.A.,
Thermodynamic properties of oxygen compounds. III. Benzaldehyde and furfural (2-furaldehyde),
Thermochim. Acta, 1975, 12, 432-437. [all data]
Landrieu, 1905
Landrieu, M.Ph.,
Thermochimie. - Thermochimie des hydrazones,
Compt. Rend., 1905, 141, 358-361. [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]
Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D.,
Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation,
J. Chem. Phys., 1969, 50, 654. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Grammaticakis, 1953
Grammaticakis, P.,
Contribution a l'etude de l'absorption dans l'U.-V. moyen et le visible de quelques aldehydes et cetones aromatiques ainsi que de certains de leurs derives fonctionnels, (Premier memoire),
Bull. Soc. Chim. Fr., 1953, 20, 821-826. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas IE (evaluated) Recommended ionization energy ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction 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.