Propanoic acid
- Formula: C3H6O2
- Molecular weight: 74.0785
- IUPAC Standard InChIKey: XBDQKXXYIPTUBI-UHFFFAOYSA-N
- CAS Registry Number: 79-09-4
- 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: Propionic acid; Carboxyethane; Ethanecarboxylic acid; Ethylformic acid; Luprisol; Luprosil; Metacetonic acid; Prozoin; Pseudoacetic acid; C2H5COOH; Methylacetic acid; Acide propionique; Kyselina propionova; Propionic acid grain preserver; Sentry grain preserver; Tenox P grain preservative; UN 1848; MonoProp; Antischim B; Propkorn; Propcorn; n-Propionic acid
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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 by: Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -455.8 ± 2.0 | kJ/mol | N/A | Lebedeva, 1964 | Value computed using ΔfHliquid° value of -510.8±0.1 kj/mol from Lebedeva, 1964 and ΔvapH° value of 55±2 kj/mol from missing citation. |
ΔfH°gas | -455.8 ± 2.0 | kJ/mol | Ccb | Lebedeva, 1964 | Value computed using ΔfHliquid° from Lebedeva, 1964 and ΔvapH° value of 55. kJ/mol from Konicek and Wadso, 1970. |
ΔfH°gas | -455.0 ± 3.2 | kJ/mol | Ccb | Schjanberg, 1935 | Value computed using ΔfHliquid° from Schjanberg, 1935 and ΔvapH° value of 55. kJ/mol from Konicek and Wadso, 1970. estimated uncertainty |
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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -510.8 ± 0.1 | kJ/mol | Ccb | Lebedeva, 1964 | ALS |
ΔfH°liquid | -510.0 ± 2.5 | kJ/mol | Ccb | Schjanberg, 1935 | estimated uncertainty; DRB |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1527.3 ± 0.1 | kJ/mol | Ccb | Lebedeva, 1964 | Corresponding ΔfHºliquid = -510.74 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1528. | kJ/mol | Ccb | Schjanberg, 1935 | Corresponding ΔfHºliquid = -510.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 191.0 | J/mol*K | N/A | Martin and Andon, 1982 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
158.6 | 298.15 | Biros, Sikora, et al., 1982 | T = 270 to 370 K. Equation only. Cp = 129.7 - 0.1263 T + 0.0007486 T2 J/mol*K.; DH |
152.8 | 298.15 | Martin and Andon, 1982 | T = 13 to 450 K. Data also given by equation.; DH |
154.6 | 333.15 | Woycicka and Kalinowska, 1978 | DH |
151. | 298.15 | Konicek and Wadso, 1971 | DH |
159.4 | 289. | Radulescu and Jula, 1934 | 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:
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 |
---|---|---|---|---|---|
Tboil | 414. ± 1. | K | AVG | N/A | Average of 62 out of 65 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 252. ± 2. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 252.65 | K | N/A | Martin and Andon, 1982, 2 | Uncertainty assigned by TRC = 0.06 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 607. ± 10. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 46.68 | bar | N/A | Andereya and Chase, 1990 | Uncertainty assigned by TRC = 0.50 bar; TRC |
Pc | 45.30 | bar | N/A | Ambrose and Ghiassee, 1987 | Uncertainty assigned by TRC = 0.50 bar; TRC |
Pc | 48.1014 | bar | N/A | D'Souza and Teja, 1987 | Uncertainty assigned by TRC = 0.90 bar; Ambrose's procedure; TRC |
Pc | 40.60 | bar | N/A | Efremova and Sokolova, 1972 | Uncertainty assigned by TRC = 4.053 bar; TRC |
Pc | 53.60 | bar | N/A | Vespigniani, 1903 | Uncertainty assigned by TRC = 5.0663 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.51 | mol/l | N/A | Efremova and Sokolova, 1972 | Uncertainty assigned by TRC = 0.0450 mol/l; TRC |
ρc | 4.25 | mol/l | N/A | Anonymous, 1928 | Uncertainty assigned by TRC = 0.08 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 51. ± 20. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
47.0 | 358. | A | Stephenson and Malanowski, 1987 | Based on data from 343. to 419. K.; AC |
60.6 | 429. | A | Stephenson and Malanowski, 1987 | Based on data from 414. to 511. K.; AC |
46.4 | 360. | A | Stephenson and Malanowski, 1987 | Based on data from 345. to 401. K.; AC |
56.0 | 303. | N/A | Tamir, Dragoescu, et al., 1983 | AC |
48.3 | 343. | N/A | Ambrose, Ellender, et al., 1981 | Based on data from 328. to 437. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
345.54 to 401.49 | 4.74558 | 1679.869 | -59.832 | Dreisbach and Shrader, 1949 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
74. ± 1. | 233. | TE | Calis-Van Ginkel, Calis, et al., 1978 | Based on data from 225. to 238. K.; AC |
73. ± 1. | 233. | ME | Calis-Van Ginkel, Calis, et al., 1978 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.66 | 252.7 | Domalski and Hearing, 1996 | See also Martin and Andon, 1982.; AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
10.660 | 252.65 | crystaline, I | liquid | Martin and Andon, 1982 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
42.19 | 252.65 | crystaline, I | liquid | Martin and Andon, 1982 | DH |
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.
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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