Propanal

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, Condensed phase thermochemistry data, 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-45.09 ± 0.18kcal/molCmWiberg, Crocker, et al., 1991Heat of hydrogenation; ALS
Δfgas-44.46 ± 0.36kcal/molEqkConnett, 1972At 473-524 K; ALS
Δfgas-45.55 ± 0.21kcal/molChydBuckley and Cox, 1967ALS
Δfgas-45.9kcal/molCcbTjebbes, 1962ALS
Quantity Value Units Method Reference Comment
gas72.75 ± 0.38cal/mol*KN/AConnett, 1972This value was determined from the equilibrium measurements using improved experimental techniques. It agrees with values obtained by statistical mechanics. Earlier the value of 293.8(1.3) J/mol*K was obtained from equilibrium study [ Buckley E., 1967].; GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
18.52273.15Chao J., 1986p=1 bar. The values of thermodynamic functions of [ Frankiss S.G., 1974] were adopted by [ Chao J., 1986]. [ Chermin, 1961, Vasilev I.A., 1966] calculated the thermodynamic functions of the cis isomer only.; GT
19.29 ± 0.024298.15
19.35300.
23.04400.
26.984500.
30.712600.
34.082700.
37.094800.
39.771900.
42.1371000.
44.2401100.
46.1041200.
47.7531300.
49.2591400.
50.5981500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
20.20325.04Counsell J.F., 1972GT
21.13350.07
22.04374.50

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, 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
Δfliquid-52.18 ± 0.15kcal/molCmWiberg, Crocker, et al., 1991Heat of hydrogenation; ALS
Δfliquid-51.55 ± 0.36kcal/molEqkConnett, 1972At 473-524 K; ALS
Δfliquid-52.64 ± 0.23kcal/molChydBuckley and Cox, 1967ALS
Δfliquid-52.95 ± 0.18kcal/molCcbTjebbes, 1962ALS
Quantity Value Units Method Reference Comment
Δcliquid-434.16 ± 0.18kcal/molCcbTjebbes, 1962Corresponding Δfliquid = -52.94 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid50.88cal/mol*KN/AKorkhov and Vasil'ev, 1977DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
38.03298.15Korkhov and Vasil'ev, 1977T = 15 to 335 K.; DH
32.19298.von Reis, 1881T = 288 to 328 K.; DH

References

Go To: Top, Gas phase thermochemistry data, 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]

Buckley E., 1967
Buckley E., Chemical equilibria. Part 2. Dehydrogenation of propanol and butanol, Trans. Faraday Soc., 1967, 63, 895-901. [all data]

Chao J., 1986
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

Frankiss S.G., 1974
Frankiss S.G., Thermodynamic properties of organic oxygen compounds. Part 36. Chemical thermodynamic properties of propanal, J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1516-1521. [all data]

Chermin, 1961
Chermin, H.A.G., Thermo data for petrochemicals. Part 27: Gaseous normal aldehydes. The important thermo properties are presented for all the gaseous normal aldehydes from formaldehyde through decaldehyde, Pet. Refin., 1961, 40, 181-184. [all data]

Vasilev I.A., 1966
Vasilev I.A., Thermodynamic functions of propionaldehyde, Zh. Fiz. Khim., 1966, 40, 842-847. [all data]

Counsell J.F., 1972
Counsell J.F., Thermodynamic properties of organic oxygen compounds. 30. Vapor heat capacity and enthalpy of vaporization of propanal, J. Chem. Thermodyn., 1972, 4, 915-917. [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, Gas phase thermochemistry data, Condensed phase thermochemistry data, References