Methyl propionate
- Formula: C4H8O2
- Molecular weight: 88.1051
- IUPAC Standard InChIKey: RJUFJBKOKNCXHH-UHFFFAOYSA-N
- CAS Registry Number: 554-12-1
- 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: Propanoic acid, methyl ester; Propionic acid, methyl ester; Methyl propanoate; Methyl propylate; C2H5COOCH3; Propionate de methyle; Methylester kyseliny propionove; UN 1248; Methyl ester of propanoic acid; NSC 9375
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Phase change data
Go To: Top, 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, Chris Muzny 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 |
---|---|---|---|---|---|
Tboil | 353. ± 1. | K | AVG | N/A | Average of 25 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 185.65 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 531. ± 5. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 40.04 | bar | N/A | Young, 1910 | Uncertainty assigned by TRC = 1.0132 bar; TRC |
Pc | 40.050 | bar | N/A | Young and Thomas, 1893 | Uncertainty assigned by TRC = 0.40 bar; TRC |
Pc | 40.41 | bar | N/A | Heilbron, 1891 | Uncertainty assigned by TRC = 1.0132 bar; TRC |
Pc | 40.41 | bar | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 1.0132 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.54 | mol/l | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.11 mol/l; TRC |
ρc | 3.545 | mol/l | N/A | Young and Thomas, 1893 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
ρc | 3.41 | mol/l | N/A | Heilbron, 1891 | Uncertainty assigned by TRC = 0.11 mol/l; TRC |
ρc | 3.41 | mol/l | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 0.11 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 35.95 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 34.5 ± 4.2 | kJ/mol | E | Guthrie and Cullimore, 1980 | ALS |
ΔvapH° | 35.82 ± 0.09 | kJ/mol | C | Sunner, Svensson, et al., 1979 | ALS |
ΔvapH° | 32.3 ± 0.02 | kJ/mol | V | Mathews, 1926 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
32.24 | 352.9 | Majer 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) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 363. | 53.29 | 0.2857 | 530.6 | Majer 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 to 351.90 | 4.03986 | 1155.987 | -65.979 | Polák and Mertl, 1965 | Coefficents calculated by NIST from author's data. |
IR Spectrum
Go To: Top, Phase change 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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
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 |
Mass spectrum (electron ionization)
Go To: Top, Phase change 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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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
References
Go To: Top, Phase change 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.
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]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point 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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