Hexanoic acid

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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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-122. ± 1.kcal/molAVGN/AAverage of 7 values; Individual data points

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-139.04 ± 0.25kcal/molCcbFenwick, Harrop, et al., 1978ALS
Δfliquid-139.48 ± 0.18kcal/molCcbAdriaanse, Dekker, et al., 1965Heat of formation derived by Cox and Pilcher, 1970; ALS
Δfliquid-139.98 ± 0.13kcal/molCcbLebedeva, 1964ALS
Quantity Value Units Method Reference Comment
Δcliquid-835.16 ± 0.16kcal/molCcbFenwick, Harrop, et al., 1978Corresponding Δfliquid = -139.04 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-834.7 ± 0.1kcal/molCcbAdriaanse, Dekker, et al., 1965Corresponding Δfliquid = -139.5 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-834.23 ± 0.13kcal/molCcbLebedeva, 1964Corresponding Δfliquid = -139.97 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-840.8kcal/molCcbFischer and Wrede, 1904Heat of combustion corrected for pressure; Corresponding Δfliquid = -133.4 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
Δcsolid-841.97kcal/molCcbLemoult, 1904Corresponding Δfsolid = -132.2 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
53.80298.von Reis, 1881T = 292 to 483 K.; DH

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: John E. Bartmess

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

C6H11O2- + Hydrogen cation = Hexanoic acid

By formula: C6H11O2- + H+ = C6H12O2

Quantity Value Units Method Reference Comment
Δr346.1 ± 2.1kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Δr345.8 ± 2.4kcal/molG+TSMcLuckey, Cameron, et al., 1981gas phase
Quantity Value Units Method Reference Comment
Δr339.1 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase
Δr338.8 ± 2.3kcal/molCIDCMcLuckey, Cameron, et al., 1981gas phase

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.

Fenwick, Harrop, et al., 1978
Fenwick, J.O.; Harrop, D.; Head, A.J., Thermodynamic properties of organic oxygen compounds. 46. Enthalpies of formation of ethyl acetate and 1-hexanoix acid, J. Chem. Thermodyn., 1978, 10, 687-690. [all data]

Adriaanse, Dekker, et al., 1965
Adriaanse, N.; Dekker, H.; Coops, J., Heats of combustion of normal saturated fatty acids and their methyl esters, Rec. Trav. Chim. Pays/Bas, 1965, 84, 393-407. [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]

Lebedeva, 1964
Lebedeva, N.D., Heats of combustion of monocarboxylic acids, Russ. J. Phys. Chem. (Engl. Transl.), 1964, 38, 1435-1437. [all data]

Fischer and Wrede, 1904
Fischer, E.; Wrede, F., Uber die Verbrennungswarme einiger organischer Verbindungen, Sitzungsber. Dtsch. Akad. Wiss. Berlin Kl. Math. Phys. Tech., 1904, 687-715. [all data]

Lemoult, 1904
Lemoult, M.P., Remarques sur une serie recenie de determinations calorimetriques, Compt. Rend., 1904, 663-635. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]

McLuckey, Cameron, et al., 1981
McLuckey, S.A.; Cameron, D.; Cooks, R.G., Proton affinities from the dissociation of proton bound dimers, J. Am. Chem. Soc., 1981, 103, 1313. [all data]


Notes

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