Pentanoic acid, ethyl ester

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Gas 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
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-507. ± 2.kJ/molCmWiberg and Waldron, 1991Heat of hydrolysis; ALS
Δfgas-507.7kJ/molN/AHancock, Watson, et al., 1954Value computed using ΔfHliquid° value of -553.8±2.5 kj/mol from Hancock, Watson, et al., 1954 and ΔvapH° value of 46.1 kj/mol from Schjanberg, 1937.; DRB
Δfgas-507. ± 3.kJ/molCcbSchjanberg, 1937Heat of formation derived by Cox and Pilcher, 1970; ALS

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

Quantity Value Units Method Reference Comment
Δfliquid-554.1 ± 0.8kJ/molCmWiberg and Waldron, 1991Heat of hydrolysis
Δfliquid-553.8 ± 2.5kJ/molCcbHancock, Watson, et al., 1954Reanalyzed by Cox and Pilcher, 1970, Original value = -552. kJ/mol
Δfliquid-553.1 ± 8.4kJ/molCcbSchjanberg, 1937Heat of formation derived by Cox and Pilcher, 1970
Quantity Value Units Method Reference Comment
Δcliquid-4201.6 ± 2.5kJ/molCcbHancock, Watson, et al., 1954Reanalyzed by Cox and Pilcher, 1970, Original value = -4201. kJ/mol; Corresponding Δfliquid = -553.79 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-4202.4 ± 2.5kJ/molCcbSchjanberg, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -4197. ± 8. kJ/mol; At 293; Corresponding Δfliquid = -552.96 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil415. ± 9.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tc593.3KN/AYoung, 1994Uncertainty assigned by TRC = 1. K; TRC
Tc570.2KN/ADe Heen, 1888Uncertainty assigned by TRC = 20. K; TRC
Quantity Value Units Method Reference Comment
Δvap47. ± 1.kJ/molVWiberg and Waldron, 1991Heat of hydrolysis; ALS
Δvap47.1kJ/molN/AWiberg and Waldron, 1991DRB
Δvap47.01 ± 0.10kJ/molCNilsson and Wadso, 1986ALS
Δvap46. ± 1.kJ/molESchjanberg, 1937Heat of formation derived by Cox and Pilcher, 1970; ALS
Δvap46.1kJ/molN/ASchjanberg, 1937DRB

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
38.293.VSchjanberg, 1937At 293; ALS

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:


Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H6O+11.00 ± 0.05C3H8OEIHolmes, Burgers, et al., 1981 

References

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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]

Hancock, Watson, et al., 1954
Hancock, C.K.; Watson, G.M.; Gilby, R.F., Heats of combustion of five-carbon fatty acids and their methyl and ethyl esters, J. Phys. Chem., 1954, 58, 127-129. [all data]

Schjanberg, 1937
Schjanberg, E., Die verbrennungswarmen und die refraktionsdaten einiger pentensaureeste, Z. Phys. Chem., 1937, 178, 274-281. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Young, 1994
Young, C.L., Personal Commun. 1994 1994, 1994. [all data]

De Heen, 1888
De Heen, P., Research on Physics and Theory of Liquids, Experimental Part Paris, 1888. [all data]

Nilsson and Wadso, 1986
Nilsson, S.-O.; Wadso, I., Thermodynamic properties of some mono-, di-, and tri esters. Enthalpies of solution in water at 288.15 to 318.15 K and enthalpies of vaporization and heat capacities at 298.15 K, J. Chem. Thermodyn., 1986, 18, 673-681. [all data]

Holmes, Burgers, et al., 1981
Holmes, J.L.; Burgers, P.C.; Terlouw, J.K., Water elimination from the keto and enol tautomers of ionised ethylacetate, Can. J. Chem., 1981, 59, 1805. [all data]


Notes

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