2-Oxepanone

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

Quantity Value Units Method Reference Comment
Δfgas-396. ± 3.kJ/molCmWiberg and Waldron, 1991Heat of reduction

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 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
Δfliquid-458. ± 2.kJ/molCmWiberg and Waldron, 1991Heat of reduction; ALS
Quantity Value Units Method Reference Comment
liquid235.7J/mol*KN/ALebedev and Yevstropov, 1983DH
liquid235.6J/mol*KN/ALebedev, Yevstropov, et al., 1978DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
196.8298.15Lebedev and Yevstropov, 1983T = 13.8 to 340 K.; DH
196.8298.15Lebedev, Yevstropov, et al., 1978T = 13.8 to 350 K.; DH

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.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Ttriple272.13KN/ALebedev and Yevstropov, 1983, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple271.83KN/ALebedev, Evstropov, et al., 1978Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Δvap62. ± 1.kJ/molVWiberg and Waldron, 1991Heat of reduction; ALS
Δvap62.0kJ/molN/AWiberg and Waldron, 1991DRB
Δvap62.0 ± 1.3kJ/molEBWiberg and Waldron, 1991Based on data from 395. to 436. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
370.20.020Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
54.0 ± 0.2415.EBWiberg and Waldron, 1991Based on data from 395. to 436. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
13.820272.13Lebedev and Yevstropov, 1983DH
13.820271.83Lebedev, Yevstropov, et al., 1978DH
13.82272.Acree, 1991AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
50.9272.13Lebedev and Yevstropov, 1983DH
50.9271.83Lebedev, Yevstropov, et al., 1978DH

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:


Reaction 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Hexanoic acid, 6-hydroxy- = 2-Oxepanone + Water

By formula: C6H12O3 = C6H10O2 + H2O

Quantity Value Units Method Reference Comment
Δr15.5 ± 0.3kJ/molCmWiberg and Waldron, 1991solid phase

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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]

Lebedev and Yevstropov, 1983
Lebedev, B.V.; Yevstropov, A.A., Thermodynamics of β-propiolactone, t-butyrolactone, d-valerolactone, and e-caprolactone from 13.8 to 340 K, J. Chem. Thermodynam., 1983, 15, 115-128. [all data]

Lebedev, Yevstropov, et al., 1978
Lebedev, B.V.; Yevstropov, A.A.; Lebedev, N.K.; Karpova, Ye.A.; Lyudvig, Ye.B.; Belen'kaya, B.G., The thermodynamics of e-caprolactone, its polymer and of e-caprolactone polymerization in the 0-350°K range, Vysokomol. Soedin., 1978, A20, 1974-1980. [all data]

Lebedev and Yevstropov, 1983, 2
Lebedev, B.V.; Yevstropov, A.A. (see evstro aa), Thermodynamics of β-propiolactone, γ-butyrolactone, δ- valerolactone, and ε-caprolactone from 13.8 to 340 K, J. Chem. Thermodyn., 1983, 15, 115. [all data]

Lebedev, Evstropov, et al., 1978
Lebedev, B.V.; Evstropov, A.A.; Lebedev, N.K.; Belov, V.I., The thermodynamics of ε-caprolactone, its polymer and of η-caprolactam polymerization in the 0-350 K range, Vysikomol. Soedin., Ser. A, 1978, 20, 1974-80. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]


Notes

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