Propanal

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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, Phase change 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

Phase change data

Go To: Top, Gas phase thermochemistry data, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil322. ± 2.KAVGN/AAverage of 38 out of 40 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus180. ± 20.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple171.32KN/AVasil'ev and Petrov, 1984Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple171.15KN/AKorkhov and Vasil'ev, 1977, 2Uncertainty assigned by TRC = 0.1 K; TRC
Ttriple171.32KN/AKorkhov and Vasil'ev, 1977, 2Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Tc600. ± 200.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc51.91atmN/AGude and Teja, 1994Uncertainty assigned by TRC = 0.59 atm; by the flow method; TRC
Pc52.01atmN/AGude and Teja, 1994Uncertainty assigned by TRC = 0.987 atm; by sealed ampule; TRC
Pc52.01atmN/ATeja and Rosenthal, 1990Uncertainty assigned by TRC = 0.987 atm; TRC
Pc67.8000atmN/ABougard and Jadot, 1977source of data not clear; TRC
Pc67.8000atmN/ASvoboda, Vesely, et al., 1977Uncertainty assigned by TRC = 2.000 atm; TRC
Quantity Value Units Method Reference Comment
ρc4.91mol/lN/AAnselme and Teja, 1990Uncertainty assigned by TRC = 0.09 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap7.10 ± 0.07kcal/molAVGN/AAverage of 11 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
6.766321.1N/AMajer and Svoboda, 1985 
6.7686321.08N/AKorkhov and Vasil'ev, 1977DH
7.24305.AStephenson and Malanowski, 1987Based on data from 290. to 322. K. See also Dykyj, 1970.; AC
7.62265.EBStephenson and Malanowski, 1987Based on data from 250. to 330. K. See also Smith and Bonner, 1951.; AC
7.53278.N/AKim and Kim, 1977Based on data from 263. to 373. K.; AC
7.29301.N/AAmbrose and Sprake, 1974Based on data from 286. to 321. K.; AC
6.76321.N/ACounsell and Lee, 1972AC
7.03303.N/ACounsell and Lee, 1972AC
7.24286.N/ACounsell and Lee, 1972AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
286. to 321.10.630.2676496.2Majer and Svoboda, 1985 

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.053171.32Korkhov and Vasil'ev, 1977DH
2.05171.3Domalski and Hearing, 1996AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]

Vasil'ev and Petrov, 1984
Vasil'ev, I.A.; Petrov, V.M., Thermodynamic Properties of Oxygen-containing Organic Compounds, Handbook, Soedinenii: Khimya, Leningrad, p 240, 1984. [all data]

Korkhov and Vasil'ev, 1977, 2
Korkhov, A.D.; Vasil'ev, I.A., Heat capacity and thermodynamic functions of propionaldehyde at low temperatures., Termodin. Org. Soedin., 1977, No. 6, 34. [all data]

Gude and Teja, 1994
Gude, M.T.; Teja, A.S., The Critical Properties of Several n-Alkanals, Tetralin and NMP, Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Series No. 2, p.174-83. [all data]

Teja and Rosenthal, 1990
Teja, A.S.; Rosenthal, D.J., The Critical Pressures and Temperatures of Twelve Substances Using A Low Residence Time Flow Apparatus, AIChE Symp. Ser., 1990, 86, 279, 133-7. [all data]

Bougard and Jadot, 1977
Bougard, J.; Jadot, R., Isothermal Vapor-Liquid Equilibria for the System 1,2-Dichloropropane- Propanal, J. Chem. Eng. Data, 1977, 22, 88. [all data]

Svoboda, Vesely, et al., 1977
Svoboda, V.; Vesely, F.; Holub, R.; Pick, J., Heats of vaporization of alkyl acetates and propionates, Collect. Czech. Chem. Commun., 1977, 42, 943-51. [all data]

Anselme and Teja, 1990
Anselme, M.J.; Teja, A.S., The critical properties of rapidly reacting substances, AIChE Symp. Ser., 1990, 86, 279, 128-32. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Smith and Bonner, 1951
Smith, Thomas E.; Bonner, Robert F., Acetaldehyde, Propionaldehyde, and n-Butyraldehyde, Ind. Eng. Chem., 1951, 43, 5, 1169-1173, https://doi.org/10.1021/ie50497a049 . [all data]

Kim and Kim, 1977
Kim, B.C.; Kim, D.H., Hwahak Kwa Hwahak Kongop, 1977, 20, 232. [all data]

Ambrose and Sprake, 1974
Ambrose, D.; Sprake, C.H.S., Thermodynamic properties of organic oxygen compounds 32. Vapour pressure and second virial coefficient of propanal, The Journal of Chemical Thermodynamics, 1974, 6, 5, 453-456, https://doi.org/10.1016/0021-9614(74)90006-8 . [all data]

Counsell and Lee, 1972
Counsell, J.F.; Lee, D.A., Thermodynamic properties of organic oxygen compounds 30. Vapour heat capacity and enthalpy of vaporization of propanal, The Journal of Chemical Thermodynamics, 1972, 4, 6, 915-917, https://doi.org/10.1016/0021-9614(72)90013-4 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References