Butanal
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChI: InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
- IUPAC Standard InChIKey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
- CAS Registry Number: 123-72-8
- 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: Butyraldehyde; n-Butanal; n-Butyl aldehyde; n-Butyraldehyde; Butal; Butaldehyde; Butanaldehyde; Butyl aldehyde; Butyral; Butyric aldehyde; Butyrylaldehyde; n-C3H7CHO; Aldehyde butyrique; Aldeide butirrica; Butalyde; Butyraldehyd; NCI-C56291; UN 1129; 1-Butanal; Butan-1-al; NSC 62779
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Condensed phase thermochemistry data
Go To: Top, 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 | -245.4 ± 0.84 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | ALS |
| ΔfH°liquid | -238.1 ± 1.5 | kJ/mol | Chyd | Buckley and Cox, 1967 | ALS |
| ΔfH°liquid | -240.3 | kJ/mol | Ccb | Nicholson, 1960 | ALS |
| ΔfH°liquid | -238.7 ± 0.71 | kJ/mol | Ccb | Tjebbes, 1960 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -2477.1 ± 1.4 | kJ/mol | Ccb | Nicholson, 1960 | Corresponding ΔfHºliquid = -240.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -2478.7 ± 0.71 | kJ/mol | Ccb | Tjebbes, 1960 | Corresponding ΔfHºliquid = -238.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 242.7 | J/mol*K | N/A | Vasil'ev and Lebedev, 1989 | DH |
| S°liquid | 246.9 | J/mol*K | N/A | Parks, Kennedy, et al., 1956 | Extrapolation below 80 K, 43.93 J/mol*K.; DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 164.7 | 298.15 | Vasil'ev and Lebedev, 1989 | T = 11 to 330 K.; DH |
| 163.51 | 298.15 | Parks, Kennedy, et al., 1956 | T = 80 to 300 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M.,
Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups,
J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]
Buckley and Cox, 1967
Buckley, E.; Cox, J.D.,
Chemical equilibria. Part 2.-Dehydrogenation of propanol and butanol,
Trans. Faraday Soc., 1967, 63, 895-901. [all data]
Nicholson, 1960
Nicholson, G.R.,
478. The heats of combustion of butanal and heptanal,
J. Chem. Soc., 1960, 2377-2378. [all data]
Tjebbes, 1960
Tjebbes, J.,
Heats of combustion of butannal and some related compounds,
Acta Chem. Scand., 1960, 14, 180-188. [all data]
Vasil'ev and Lebedev, 1989
Vasil'ev, V.G.; Lebedev, B.V.,
Thermodynamics of butanal in the temperature range 0-330K,
Zh. Obshch. Khim., 1989, 59(11), 2415-2420. [all data]
Parks, Kennedy, et al., 1956
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L.,
Thermal data on organic compounds. XXVI. Some heat capacity, entropy and free energy data for seven compounds containing oxygen.,
Not In System, 1956, 78, 56-59. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, 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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