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Methyl propionate

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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
Deltacliquid-2246.kJ/molCcbSchjanberg, 1935Corresponding «DELTA»fliquid = -471.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
171.21298.15Pintos, Bravo, et al., 1988DH
174.60301.45Zabransky, Hynek, et al., 1987T = 296 to 342 K. Unsmoothed experimental datum.; DH
172.74298.15Jimenez, Romani, et al., 1986DH
171.20298.15Baluja, Bravo, et al., 1985DH
175.9298.38Guseinov, Shubin, et al., 1984T = 205 to 348 K. Unsmoothed experimental datum.; DH
174.2298.15Fuchs, 1979DH

Phase change data

Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil353. ± 1.KAVGN/AAverage of 25 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus185.65KN/ATimmermans and Mattaar, 1921Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tc531. ± 5.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Pc40.04barN/AYoung, 1910Uncertainty assigned by TRC = 1.0132 bar; TRC
Pc40.050barN/AYoung and Thomas, 1893Uncertainty assigned by TRC = 0.40 bar; TRC
Pc40.41barN/AHeilbron, 1891Uncertainty assigned by TRC = 1.0132 bar; TRC
Pc40.41barN/ANadezhdin, 1887Uncertainty assigned by TRC = 1.0132 bar; TRC
Quantity Value Units Method Reference Comment
rhoc3.54mol/lN/AYoung, 1910Uncertainty assigned by TRC = 0.11 mol/l; TRC
rhoc3.545mol/lN/AYoung and Thomas, 1893Uncertainty assigned by TRC = 0.05 mol/l; TRC
rhoc3.41mol/lN/AHeilbron, 1891Uncertainty assigned by TRC = 0.11 mol/l; TRC
rhoc3.41mol/lN/ANadezhdin, 1887Uncertainty assigned by TRC = 0.11 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap35.95kJ/molN/AMajer and Svoboda, 1985 
Deltavap34.5 ± 4.2kJ/molEGuthrie and Cullimore, 1980ALS
Deltavap35.82 ± 0.09kJ/molCSunner, Svensson, et al., 1979ALS
Deltavap32.3 ± 0.02kJ/molVMathews, 1926ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
32.24352.9Majer and Svoboda, 1985 

Enthalpy of vaporization

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

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 363.53.290.2857530.6Majer and Svoboda, 1985 

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
293.74 - 351.904.039861155.987-65.979Polák and Mertl, 1965Coefficents calculated by NIST from author's data.

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Propane, 1,1,1-trimethoxy- + Water = Methyl propionate + 2Methyl Alcohol

By formula: C6H14O3 + H2O = C4H8O2 + 2CH4O

Quantity Value Units Method Reference Comment
Deltar-26.12 ± 0.067kJ/molCmWiberg, Martin, et al., 1985liquid phase; solvent: Aqueous dioxane
Deltar-51.76 ± 0.54kJ/molEqkGuthrie and Cullimore, 1980liquid phase
Deltar-26.28 ± 0.071kJ/molCmWiberg, 1980liquid phase; solvent: Water; Hydrolysis

2Hydrogen + 2-Propynoic acid, methyl ester = Methyl propionate

By formula: 2H2 + C4H4O2 = C4H8O2

Quantity Value Units Method Reference Comment
Deltar-331. ± 4.6kJ/molChydFlitcroft and Skinner, 1958liquid phase; solvent: Ethanol

Methyl propionate + Water = Methyl Alcohol + Propanoic acid

By formula: C4H8O2 + H2O = CH4O + C3H6O2

Quantity Value Units Method Reference Comment
Deltar-60.17 ± 0.92kJ/molEqkGuthrie and Cullimore, 1980liquid phase

Hydrogen + 2-Propenoic acid, methyl ester = Methyl propionate

By formula: H2 + C4H6O2 = C4H8O2

Quantity Value Units Method Reference Comment
Deltar-501.2kJ/molChydVeselova and Sul'man, 1980liquid phase

IR Spectrum

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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 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, 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 Chuck Anderson, Aldrich Chemical Co.
NIST MS number 107258

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, 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.

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]

Pintos, Bravo, et al., 1988
Pintos, M.; Bravo, R.; Baluja, M.C.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E., Can. J. Chem., 1988, 1179. [all data]

Zabransky, Hynek, et al., 1987
Zabransky, M.; Hynek, V.; Finkeova-Hastabova, J.; Vesely, F., Heat capacities of six liquid esters as a function of temperature, Coll. Czech. Chem. Comm., 1987, 52, 251-256. [all data]

Jimenez, Romani, et al., 1986
Jimenez, E.; Romani, L.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E., Molar excess heat capacities and volumes for mixtures of alkanoates with cyclohexane at 25°C, J. Solution Chem., 1986, 15(11), 879-890. [all data]

Baluja, Bravo, et al., 1985
Baluja, M.C.; Bravo, R.; Pintos, M.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E., Unusual dependence on concentration of the excess heat capacities of ester solutions in alkanes, Calorim. Anal. Therm., 1985, 16, 138-144. [all data]

Guseinov, Shubin, et al., 1984
Guseinov, K.D.; Shubin, V.V.; Klimova, T.F., Study of the enthalpy of liquid propionate esters, Izv. Vyssh. Uchebn. Zaved, Neft. Gaz, 1984, 27(8), 54-57. [all data]

Fuchs, 1979
Fuchs, R., Heat capacities of some liquid aliphatic, alicyclic, and aromatic esters at 298.15 K, J. Chem. Thermodyn., 1979, 11, 959-961. [all data]

Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F., Freezing points of orgainic substances VI. New experimental determinations., Bull. Soc. Chim. Belg., 1921, 30, 213. [all data]

Young, 1910
Young, S., The Internal Heat of Vaporization constants of thirty pure substances, Sci. Proc. R. Dublin Soc., 1910, 12, 374. [all data]

Young and Thomas, 1893
Young, S.; Thomas, G.L., The vapour pressures, molecular volumes, and critical constants of ten of the lower esters, J. Chem. Soc., 1893, 63, 1191. [all data]

Heilbron, 1891
Heilbron, E., Summary of the Critical Data Up To Now on Liquids., Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1891, 1, 601-13. [all data]

Nadezhdin, 1887
Nadezhdin, A., Rep. Phys., 1887, 23, 708. [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]

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]

Sunner, Svensson, et al., 1979
Sunner, S.; Svensson, Ch.; Zelepuga, A.S., Enthalpies of vaporization at 298.15 K for some 2-alkanones and methyl alkanoates, J. Chem. Thermodyn., 1979, 11, 491-495. [all data]

Mathews, 1926
Mathews, J.H., The accurate measurement of heats of vaporization of liquids, J. Am. Chem. Soc., 1926, 48, 562-576. [all data]

Polák and Mertl, 1965
Polák, J.; Mertl, I., Saturated vapour pressure of methyl acetate, ethyl acetate, n-propyl acetate, methyl propionate, and ethyl propionate, Collect. Czech. Chem. Commun., 1965, 30, 10, 3526-3528, https://doi.org/10.1135/cccc19653526 . [all data]

Wiberg, Martin, et al., 1985
Wiberg, K.B.; Martin, E.J.; Squires, R.R., Thermochemical studies of carbonyl compounds. 3. Enthalpies of hydrolysis of ortho esters, J. Org. Chem., 1985, 50, 4717-4720. [all data]

Wiberg, 1980
Wiberg, K.B., Energies of organic compounds, Rept. DOE-E(11-1)4060 Prepared for US Dept. of Energy by Yale Univ., New Haven, CT. Avail. NTIS, 1980, 1-24. [all data]

Flitcroft and Skinner, 1958
Flitcroft, T.L.; Skinner, H.A., Heats of hydrogenation Part 2.-Acetylene derivatives, Trans. Faraday Soc., 1958, 54, 47-53. [all data]

Veselova and Sul'man, 1980
Veselova, M.E.; Sul'man, E.M., Effect of the chemical structure of «alpha»,«beta»-unsaturated esters and ketones on the selectivity of their hydrogenation, Svoistva Veshchestv i Stroenie Molekul, Kalinin, 1980, 140-143. [all data]


Notes

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