Propanoic acid, ethyl ester
- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChIKey: FKRCODPIKNYEAC-UHFFFAOYSA-N
- CAS Registry Number: 105-37-3
- 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, ethyl ester; Ethyl propanoate; Ethyl propionate; Propionic ester; Propionic ether; C2H5COOC2H5; Propionate d'ethyle; Ethylester kyseliny propionove; UN 1195; Ethyl ester of propanoic acid; Ethyl n-propionate; n-Ethyl propanoate; NSC 8848
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -111.5 ± 0.1 | kcal/mol | Cm | Wiberg and Waldron, 1991 | Heat of hydrolysis |
ΔfH°gas | -110.8 ± 0.2 | kcal/mol | Ccr | Mansson, 1972 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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 |
---|---|---|---|---|---|
ΔfH°liquid | -120.84 ± 0.12 | kcal/mol | Cm | Wiberg and Waldron, 1991 | Heat of hydrolysis; ALS |
ΔfH°liquid | -120.1 ± 0.2 | kcal/mol | Ccr | Mansson, 1972 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -691.68 ± 0.16 | kcal/mol | Ccr | Mansson, 1972 | Corresponding ΔfHºliquid = -120.15 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -690.3 | kcal/mol | Ccb | Schjanberg, 1935 | Corresponding ΔfHºliquid = -121.5 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -696.00 ± 0.48 | kcal/mol | Ccb | Roth and Muller, 1929 | Corresponding ΔfHºliquid = -115.83 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 |
---|---|---|---|
47.701 | 298.33 | Zabransky, Hynek, et al., 1987 | T = 294 to 349 K. Unsmoothed experimental datum.; DH |
48.016 | 298.15 | Jimenez, Romani, et al., 1986 | DH |
Gas phase ion energetics 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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
10.00 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C3H7O2+ | 10.4 ± 0.1 | ? | EI | Munson and Franklin, 1964 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg and Waldron, 1991
Wiberg, K.B.; Waldron, R.F.,
Lactones. 2. Enthalpies of hydrolysis, reduction, and formation of the C4-C13 monocyclic lactones. strain energies and conformations,
J. Am. Chem. Soc., 1991, 113, 7697-7705. [all data]
Mansson, 1972
Mansson, M.,
Enthalpies of combustion and formation of ethyl propionate and diethyl carbonate,
J. Chem. Thermodyn., 1972, 4, 865-871. [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]
Roth and Muller, 1929
Roth, W.A.; Muller, Fr.,
Die Zersetzungswarme der Stickstoffwasserstoffsaure,
Ber., 1929, 62, 1188-1194. [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]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Munson and Franklin, 1964
Munson, M.S.B.; Franklin, J.L.,
Energetics of some gaseous oxygenated organic ions,
J. Phys. Chem., 1964, 68, 3191. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.