Propanal
- Formula: C3H6O
- Molecular weight: 58.0791
- IUPAC Standard InChI: InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
- IUPAC Standard InChIKey: NBBJYMSMWIIQGU-UHFFFAOYSA-N
- CAS Registry Number: 123-38-6
- 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: Propionaldehyde; Methylacetaldehyde; Propaldehyde; Propional; Propionic aldehyde; Propylaldehyde; Propylic aldehyde; C2H5CHO; n-Propionaldehyde; Propanalaldehyde; n-Propanal; Aldehyde propionique; Propanaldehyde; NCI-C61029; UN 1275; 1-Propanone; 1-Propanal; Proprionaldehyde; NSC 6493
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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 | -218.3 ± 0.63 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | Heat of hydrogenation; ALS |
| ΔfH°liquid | -215.7 ± 1.5 | kJ/mol | Eqk | Connett, 1972 | At 473-524 K; ALS |
| ΔfH°liquid | -220.2 ± 0.96 | kJ/mol | Chyd | Buckley and Cox, 1967 | ALS |
| ΔfH°liquid | -221.5 ± 0.75 | kJ/mol | Ccb | Tjebbes, 1962 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1816.5 ± 0.75 | kJ/mol | Ccb | Tjebbes, 1962 | Corresponding ΔfHºliquid = -221.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 212.9 | J/mol*K | N/A | Korkhov and Vasil'ev, 1977 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 159.1 | 298.15 | Korkhov and Vasil'ev, 1977 | T = 15 to 335 K.; DH |
| 134.7 | 298. | von Reis, 1881 | T = 288 to 328 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]
Connett, 1972
Connett, J.E.,
Chemical equilibria. 5. Measurement of equilibrium constants for the dehydrogenation of propanol by a vapour flow technique,
J. Chem. Thermodyn., 1972, 4, 233-237. [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]
Tjebbes, 1962
Tjebbes, J.,
Heats of combustion of propanal and 2-methyl propanal,
Acta Chem. Scand., 1962, 16, 953-857. [all data]
Korkhov and Vasil'ev, 1977
Korkhov, A.D.; Vasil'ev, I.A.,
Heat capacity and thermodynamic functions of propanal at low temperatures,
Termodin. Org. Soedin., 1977, (6), 34-37. [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, 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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