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:


Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference
2.9 VN/A

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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]

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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