Heptanal
- Formula: C7H14O
- Molecular weight: 114.1855
- IUPAC Standard InChIKey: FXHGMKSSBGDXIY-UHFFFAOYSA-N
- CAS Registry Number: 111-71-7
- 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: n-Heptaldehyde; n-Heptanal; n-Heptylaldehyde; Enanthal; Enanthaldehyde; Enanthic aldehyde; Enanthole; Heptaldehyde; Heptanaldehyde; Heptyl aldehyde; Oenanthal; Oenanthaldehyde; Oenanthic aldehyde; Oenanthol; n-C6H13CHO; 1-Heptanal; 1-Heptaldehyde; Heptan-1-al; NSC 2190
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Condensed phase thermochemistry data
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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 | -312. ± 4. | kJ/mol | Ccb | Nicholson, 1960 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -4444. ± 4. | kJ/mol | Ccb | Nicholson, 1960 | Heat of formation derived by Cox and Pilcher, 1970; Corresponding ΔfHºliquid = -312. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 335.4 | J/mol*K | N/A | D'yakova and Vasil'ev, 1982 | DH |
S°liquid | 348.5 | J/mol*K | N/A | Parks, Kennedy, et al., 1956 | Extrapolation below 80 K, 56.69 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
230.78 | 298.15 | D'yakova and Vasil'ev, 1982 | Calculated from general equation: Cp(J/mol*K) = (112.44.2) - (59.943.46)x10-2T(K) + (10.930.74)x10-4T2 + (20.660.57)xnc (number of carbon atoms) + (2.650.19)x10-2Tnc.; DH |
250.33 | 298.15 | Parks, Kennedy, et al., 1956 | T = 80 to 300 K.; DH |
204.6 | 298. | von Reis, 1881 | T = 298 to 450 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.
Nicholson, 1960
Nicholson, G.R.,
478. The heats of combustion of butanal and heptanal,
J. Chem. Soc., 1960, 2377-2378. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
D'yakova and Vasil'ev, 1982
D'yakova, G.N.; Vasil'ev, I.A.,
Thermodynamic properties of aliphatic aldehydes, 1982, Termodin. [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]
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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