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Propanoic acid

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-108.9 ± 0.48kcal/molN/ALebedeva, 1964Value computed using «DELTA»fHliquid° value of -510.8±0.1 kj/mol from Lebedeva, 1964 and «DELTA»vapH° value of 55±2 kj/mol from missing citation.
Deltafgas-108.9 ± 0.48kcal/molCcbLebedeva, 1964Value computed using «DELTA»fHliquid° from Lebedeva, 1964 and «DELTA»vapH° value of 13. kcal/mol from Konicek and Wadso, 1970.
Deltafgas-108.7 ± 0.76kcal/molCcbSchjanberg, 1935Value computed using «DELTA»fHliquid° from Schjanberg, 1935 and «DELTA»vapH° value of 13. kcal/mol from Konicek and Wadso, 1970. estimated uncertainty

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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-122.08 ± 0.03kcal/molCcbLebedeva, 1964ALS
Deltafliquid-121.9 ± 0.60kcal/molCcbSchjanberg, 1935estimated uncertainty; DRB
Quantity Value Units Method Reference Comment
Deltacliquid-365.03 ± 0.03kcal/molCcbLebedeva, 1964Corresponding «DELTA»fliquid = -122.07 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-365.2kcal/molCcbSchjanberg, 1935Corresponding «DELTA»fliquid = -121.9 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid45.65cal/mol*KN/AMartin and Andon, 1982DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
37.91298.15Biros, Sikora, et al., 1982T = 270 to 370 K. Equation only. Cp = 129.7 - 0.1263 T + 0.0007486 T2 J/mol*K.; DH
36.52298.15Martin and Andon, 1982T = 13 to 450 K. Data also given by equation.; DH
36.95333.15Woycicka and Kalinowska, 1978DH
36.1298.15Konicek and Wadso, 1971DH
38.10289.Radulescu and Jula, 1934DH

Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
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
Tboil414. ± 1.KAVGN/AAverage of 63 out of 66 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus252. ± 2.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple252.65KN/AMartin and Andon, 1982, 2Uncertainty assigned by TRC = 0.06 K; TRC
Quantity Value Units Method Reference Comment
Tc607. ± 10.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Pc46.07atmN/AAndereya and Chase, 1990Uncertainty assigned by TRC = 0.49 atm; TRC
Pc44.71atmN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 0.49 atm; TRC
Pc47.4724atmN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 0.89 atm; Ambrose's procedure; TRC
Pc40.07atmN/AEfremova and Sokolova, 1972Uncertainty assigned by TRC = 4.000 atm; TRC
Pc52.90atmN/AVespigniani, 1903Uncertainty assigned by TRC = 5.0000 atm; TRC
Quantity Value Units Method Reference Comment
rhoc4.51mol/lN/AEfremova and Sokolova, 1972Uncertainty assigned by TRC = 0.0450 mol/l; TRC
rhoc4.25mol/lN/AAnonymous, 1928Uncertainty assigned by TRC = 0.08 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap12. ± 4.kcal/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
11.2358.AStephenson and Malanowski, 1987Based on data from 343. - 419. K.; AC
14.5429.AStephenson and Malanowski, 1987Based on data from 414. - 511. K.; AC
11.1360.AStephenson and Malanowski, 1987Based on data from 345. - 401. K.; AC
13.4303.N/ATamir, Dragoescu, et al., 1983AC
11.5343.N/AAmbrose, Ellender, et al., 1981Based on data from 328. - 437. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
345.54 - 401.494.739871679.869-59.832Dreisbach and Shrader, 1949Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
17.7 ± 0.2233.TECalis-Van Ginkel, Calis, et al., 1978Based on data from 225. - 238. K.; AC
17.5 ± 0.2233.MECalis-Van Ginkel, Calis, et al., 1978AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.548252.7Domalski and Hearing, 1996See also Martin and Andon, 1982.; AC

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.5478252.65crystaline, IliquidMartin and Andon, 1982DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
10.08252.65crystaline, IliquidMartin and Andon, 1982DH

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:


Reaction 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

EtCO2 anion + Hydrogen cation = Propanoic acid

By formula: C3H5O2- + H+ = C3H6O2

Quantity Value Units Method Reference Comment
Deltar347.4 ± 2.2kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Deltar347.4 ± 2.9kcal/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar340.4 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase; B
Deltar340.3 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B

Iodide + Propanoic acid = (Iodide bullet Propanoic acid)

By formula: I- + C3H6O2 = (I- bullet C3H6O2)

Quantity Value Units Method Reference Comment
Deltar16.6 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B
Quantity Value Units Method Reference Comment
Deltar10.5 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B

thiophenoxide anion + Propanoic acid = C9H11O2S-

By formula: C6H5S- + C3H6O2 = C9H11O2S-

Quantity Value Units Method Reference Comment
Deltar20.00 ± 0.40kcal/molTDAsSieck and Meot-ner, 1989gas phase; B
Quantity Value Units Method Reference Comment
Deltar12.4 ± 1.3kcal/molTDAsSieck and Meot-ner, 1989gas phase; B

Ethanol + Propanoic acid = Propanoic acid, ethyl ester + Water

By formula: C2H6O + C3H6O2 = C5H10O2 + H2O

Quantity Value Units Method Reference Comment
Deltar-5.40 ± 0.10kcal/molEqkEssex and Sandholzer, 1938liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -5.627 kcal/mol; ALS

Propanoic acid, anhydride + Water = 2Propanoic acid

By formula: C6H10O3 + H2O = 2C3H6O2

Quantity Value Units Method Reference Comment
Deltar-13.5 ± 0.1kcal/molCmConn, Kistiakowsky, et al., 1942liquid phase; Heat of hydrolysis at 303 K; ALS

Hydrogen + 2-Propenoic acid = Propanoic acid

By formula: H2 + C3H4O2 = C3H6O2

Quantity Value Units Method Reference Comment
Deltar-30.4 ± 0.2kcal/molChydSkinner and Snelson, 1959liquid phase; solvent: Acetic acid; ALS

Methyl propionate + Water = Methyl Alcohol + Propanoic acid

By formula: C4H8O2 + H2O = CH4O + C3H6O2

Quantity Value Units Method Reference Comment
Deltar-14.38 ± 0.22kcal/molEqkGuthrie and Cullimore, 1980liquid phase; ALS

NO3 anion + Water + Propanoic acid = C3H8NO6-

By formula: NO3- + H2O + C3H6O2 = C3H8NO6-

Quantity Value Units Method Reference Comment
Deltar3.90 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

CO3 + Water + Propanoic acid = C4H8O6-

By formula: CO3 + H2O + C3H6O2 = C4H8O6-

Quantity Value Units Method Reference Comment
Deltar4.00 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

NO3 anion + Propanoic acid = C3H6NO5-

By formula: NO3- + C3H6O2 = C3H6NO5-

Quantity Value Units Method Reference Comment
Deltar12.00 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

Nitrogen oxide anion + Propanoic acid = C3H6NO4-

By formula: NO2- + C3H6O2 = C3H6NO4-

Quantity Value Units Method Reference Comment
Deltar12.50 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

Sodium ion (1+) + Propanoic acid = (Sodium ion (1+) bullet Propanoic acid)

By formula: Na+ + C3H6O2 = (Na+ bullet C3H6O2)

Quantity Value Units Method Reference Comment
Deltar28.2 ± 1.4kcal/molCIDTMoision and Armentrout, 2002RCD

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 290898

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Lebedeva, 1964
Lebedeva, N.D., Heats of combustion of monocarboxylic acids, Russ. J. Phys. Chem. (Engl. Transl.), 1964, 38, 1435-1437. [all data]

Konicek and Wadso, 1970
Konicek, J.; Wadso, I., Enthalpies of vaporization of organic compounds. VII. Some carboxylic acids, Acta Chem. Scand., 1970, 24, 2612-26. [all data]

Schjanberg, 1935
Schjanberg, E., Die Verbrennungswarmen und die Refraktionsdaten einiger chlorsubstituierter Fettsauren und Ester., Z. Phys. Chem. Abt. A, 1935, 172, 197-233. [all data]

Martin and Andon, 1982
Martin, J.F.; Andon, R.J.L., Thermodynamic properties of organic oxygen compounds. Part LII. Molar heat capacity of ethanoic, propanoic, and butanoic acids, J. Chem. Thermodynam., 1982, 14, 679-688. [all data]

Biros, Sikora, et al., 1982
Biros, J.; Sikora, A.; Zivny, A.; Pouchly, J., Heat capacity of monomer models of some hydrophilic polymers in aqueous solution from 20° to 60°C, Collect Czech. Chem. Commun., 1982, 47(10), 2692-2701. [all data]

Woycicka and Kalinowska, 1978
Woycicka, M.; Kalinowska, B., Excess entahlpy and heat capacities of diluted propionic acid solutions in n-heptane, Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1978, 26, 371-375. [all data]

Konicek and Wadso, 1971
Konicek, J.; Wadso, I., Thermochemical properties of some carboxylic acids, amines and N-substituted amides in aqueous solution, Acta Chem. Scand., 1971, 25, 1541-1551. [all data]

Radulescu and Jula, 1934
Radulescu, D.; Jula, O., Beiträge zur Bestimmung der Abstufung der Polarität des Aminstickstoffes in den organischen Verbindungen, Z. Phys. Chem., 1934, B26, 390-393. [all data]

Martin and Andon, 1982, 2
Martin, J.F.; Andon, R.J.L., Thermodynamic properties of organic oxygen compounds. Part LII. Molar heat capacity of ethanoic, propanoic, and butanoic acids., J. Chem. Thermodyn., 1982, 14, 679-88. [all data]

Andereya and Chase, 1990
Andereya, E.; Chase, J.D., Chem. Eng. Technol., 1990, 13, 304-12. [all data]

Ambrose and Ghiassee, 1987
Ambrose, D.; Ghiassee, N.B., Vapor Pressures and Critical Temperatures and Critical Pressures of Some Alkanoic Acids: C1 to C10, J. Chem. Thermodyn., 1987, 19, 505. [all data]

D'Souza and Teja, 1987
D'Souza, R.; Teja, A.S., The prediction of the vapor pressures of carboxylic acids, Chem. Eng. Commun., 1987, 61, 13. [all data]

Efremova and Sokolova, 1972
Efremova, G.D.; Sokolova, E.S., Boundary curve and critical parameters of propionic acid, Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 1084. [all data]

Vespigniani, 1903
Vespigniani, G.R., Gazz. Chim. Ital., 1903, 33, 73-8. [all data]

Anonymous, 1928
Anonymous, B., International Critical Tables of Numerical Data, Phys., Chem. Technol. Vol. III, Washburn, E. W., Ed., McGraw-Hill, NY, 1928. [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]

Tamir, Dragoescu, et al., 1983
Tamir, Abraham; Dragoescu, Claudia; Apelblat, Alexander; Wisniak, Jaime, Heats of vaporization and vapor-liquid equilibria in associated solutions containing formic acid, acetic acid, propionic acid and carbon tetrachloride, Fluid Phase Equilibria, 1983, 10, 1, 9-42, https://doi.org/10.1016/0378-3812(83)80002-8 . [all data]

Ambrose, Ellender, et al., 1981
Ambrose, D.; Ellender, J.H.; Gundry, H.A.; Lee, D.A.; Townsend, R., Thermodynamic properties of organic oxygen compounds LI. The vapour pressures of some esters and fatty acids, The Journal of Chemical Thermodynamics, 1981, 13, 8, 795-802, https://doi.org/10.1016/0021-9614(81)90069-0 . [all data]

Dreisbach and Shrader, 1949
Dreisbach, R.R.; Shrader, S.A., Vapor Pressure--Temperature Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 12, 2879-2880, https://doi.org/10.1021/ie50480a054 . [all data]

Calis-Van Ginkel, Calis, et al., 1978
Calis-Van Ginkel, C.H.D.; Calis, G.H.M.; Timmermans, C.W.M.; de Kruif, C.G.; Oonk, H.A.J., Enthalpies of sublimation and dimerization in the vapour phase of formic, acetic, propanoic, and butanoic acids, The Journal of Chemical Thermodynamics, 1978, 10, 11, 1083-1088, https://doi.org/10.1016/0021-9614(78)90082-4 . [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]

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]

Caldwell and Kebarle, 1984
Caldwell, G.; Kebarle, P., Binding energies and structural effects in halide anion-ROH and -RCOOH complexes from gas phase equilibria measurements, J. Am. Chem. Soc., 1984, 106, 967. [all data]

Sieck and Meot-ner, 1989
Sieck, L.W.; Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 8. RS-..HOR Bond Strengths. Correlation with Acidities., J. Phys. Chem., 1989, 93, 4, 1586, https://doi.org/10.1021/j100341a079 . [all data]

Essex and Sandholzer, 1938
Essex, H.; Sandholzer, M., The free energy of formation of ethyl propionate, J. Phys. Chem., 1938, 42, 317-333. [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]

Conn, Kistiakowsky, et al., 1942
Conn, J.B.; Kistiakowsky, G.B.; Roberts, R.M.; Smith, E.A., Heats of organic reactions. XIII. Heats of hydrolysis of some acid anhydrides, J. Am. Chem. Soc., 1942, 64, 1747-17. [all data]

Skinner and Snelson, 1959
Skinner, H.A.; Snelson, A., Heats of hydrogenation Part 3., Trans. Faraday Soc., 1959, 55, 405-407. [all data]

Guthrie and Cullimore, 1980
Guthrie, J.P.; Cullimore, P.A., Effect of the acyl substituent on the equilibrium constant for hydration of esters, Can. J. Chem., 1980, 58, 1281-1294. [all data]

Viidanoja, Reiner, et al., 2000
Viidanoja, J.; Reiner, T.; Kiendler, A.; Grimm, F.; Arnold, F., Laboratory investigations of negative ion molecule reactions of propionic, butyric, glyoxylic, pyruvic, and pinonic acids, Int. J. Mass Spectrom., 2000, 194, 1, 53-68, https://doi.org/10.1016/S1387-3806(99)00172-4 . [all data]

Moision and Armentrout, 2002
Moision, R.M.; Armentrout, P.B., Experimental and Theoretical Dissection of Sodium Cation/Glycine Interactions, J. Phys. Chem A, 2002, 106, 43, 10350, https://doi.org/10.1021/jp0216373 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References