Furfural
- Formula: C5H4O2
- Molecular weight: 96.0841
- IUPAC Standard InChI: InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
- 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)
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Condensed phase thermochemistry data
Go To: Top, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -47.85 | kcal/mol | Ccb | Avramescu and Isagescu, 1978 | ALS |
| ΔfH°liquid | -46.58 | kcal/mol | Ccb | Miller, 1936 | %hf calculated possible error by author; ALS |
| ΔfH°liquid | -48.2 | kcal/mol | Ccb | Landrieu, Baylocq, et al., 1929 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -559.04 ± 0.02 | kcal/mol | Ccb | Avramescu and Isagescu, 1978 | Corresponding ΔfHºliquid = -47.85 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -560.3 | kcal/mol | Ccb | Miller, 1936 | %hf calculated possible error by author; Corresponding ΔfHºliquid = -46.6 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -558.7 | kcal/mol | Ccb | Landrieu, Baylocq, et al., 1929 | Corresponding ΔfHºliquid = -48.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 52.10 | cal/mol*K | N/A | Miller, 1935 | Extrapolation below 90 K, 52.38 J/mol*K.; DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 38.12 | 293. | Rastorguev and Ganiev, 1967 | T = 293 to 373 K.; DH |
| 38.91 | 298.15 | Omel'chenko, 1962 | T = 288 to 412 K.; DH |
| 37.81 | 298. | von Reis, 1881 | T = 290 to 347 K.; DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, 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
References
Go To: Top, Condensed phase thermochemistry data, IR 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]
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]
Miller, 1935
Miller, P.,
The free energy of furfural and some of its derivatives,
Iowa State Coll. J. Sci., 1935, 10, 91-93. [all data]
Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A.,
Study of the heat capacity of selected solvents,
Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]
Omel'chenko, 1962
Omel'chenko, F.S.,
Specific heat of furfural,
Izv. Vyssh. Ucheb. Zaved. Pishch. Tekhnol., 1962, No. 2, 151-152. [all data]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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