Butanoic acid, methyl ester
- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChIKey: UUIQMZJEGPQKFD-UHFFFAOYSA-N
- CAS Registry Number: 623-42-7
- 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: Butyric acid, methyl ester; Methyl butanoate; Methyl butyrate; Methyl n-butyrate; n-C3H7COOCH3; n-Butyric acid methyl ester; Methyl n-butanoate; UN 1237; Methyl ester of butanoic acid; NSC 9380
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Condensed phase thermochemistry data
Go To: Top, 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 |
---|---|---|---|---|---|
ΔcH°liquid | -693.0 | kcal/mol | Ccb | Schjanberg, 1935 | Corresponding ΔfHºliquid = -118.8 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
47.361 | 298.15 | Pintos, Bravo, et al., 1988 | DH |
47.99 | 298.15 | Fuchs, 1979 | DH |
Phase change data
Go To: Top, 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 375. ± 4. | K | AVG | N/A | Average of 22 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 554.5 | K | N/A | Young, 1910 | Uncertainty assigned by TRC = 1. K; TRC |
Tc | 554.5 | K | N/A | Young and Thomas, 1893 | Uncertainty assigned by TRC = 1. K; TRC |
Tc | 551.2 | K | N/A | Heilbron, 1891 | Uncertainty assigned by TRC = 3. K; TRC |
Tc | 544.7 | K | N/A | De Heen, 1888 | Uncertainty assigned by TRC = 8. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 34.28 | atm | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.8000 atm; TRC |
Pc | 34.250 | atm | N/A | Young and Thomas, 1893 | Uncertainty assigned by TRC = 0.39 atm; TRC |
Pc | 36.02 | atm | N/A | Heilbron, 1891 | Uncertainty assigned by TRC = 2.0000 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.939 | mol/l | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.098 mol/l; TRC |
ρc | 2.940 | mol/l | N/A | Young and Thomas, 1893 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
ρc | 2.85 | mol/l | N/A | Heilbron, 1891 | Uncertainty assigned by TRC = 0.098 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 9.5 ± 0.3 | kcal/mol | AVG | N/A | Average of 11 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.076 | 375.9 | N/A | Majer and Svoboda, 1985 | |
8.82 | 350. | N/A | van Genderen, van Miltenburg, et al., 2002 | AC |
9.82 ± 0.05 | 284. | N/A | van Genderen, van Miltenburg, et al., 2002 | AC |
9.18 | 332. | N/A | Swiatek and Malanowski, 2002 | Based on data from 317. to 360. K.; AC |
8.70 | 364. | N/A | Ortega, Susial, et al., 1990 | Based on data from 349. to 384. K.; AC |
8.17 | 390. | A | Stephenson and Malanowski, 1987 | Based on data from 375. to 545. K.; AC |
10.2 | 261. | A | Stephenson and Malanowski, 1987 | Based on data from 246. to 375. K. See also Stull, 1947.; 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 |
---|---|---|---|---|---|
375.5 to 545. | 4.71515 | 1758.314 | -2.421 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
246.4 to 375.5 | 4.57928 | 1528.058 | -41.606 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, 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.
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]
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]
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]
De Heen, 1888
De Heen, P.,
Research on Physics and Theory of Liquids, Experimental Part Paris, 1888. [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]
van Genderen, van Miltenburg, et al., 2002
van Genderen, Aad C.G.; van Miltenburg, J. Cees; Blok, Jacobus G.; van Bommel, Mark J.; van Ekeren, Paul J.; van den Berg, Gerrit J.K.; Oonk, Harry A.J.,
Liquid--vapour equilibria of the methyl esters of alkanoic acids: vapour pressures as a function of temperature and standard thermodynamic function changes,
Fluid Phase Equilibria, 2002, 202, 1, 109-120, https://doi.org/10.1016/S0378-3812(02)00097-3
. [all data]
Swiatek and Malanowski, 2002
Swiatek, Barbara E.; Malanowski, Stanislaw K.,
Vapor-Liquid Equilibrium in m -Xylene + Cyclohexanol at 19.99 and 94.93 kPa,
J. Chem. Eng. Data, 2002, 47, 3, 478-481, https://doi.org/10.1021/je010246z
. [all data]
Ortega, Susial, et al., 1990
Ortega, Juan; Susial, Pedro; De Alfonso, Casiano,
Isobaric vapor-liquid equilibrium of methyl butanoate with ethanol and 1-propanol binary systems,
J. Chem. Eng. Data, 1990, 35, 2, 216-219, https://doi.org/10.1021/je00060a037
. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure Tboil Boiling point Tc Critical temperature ΔcH°liquid Enthalpy of combustion of liquid at standard conditions 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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