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Hexanoic acid

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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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil477. ± 4.KAVGN/AAverage of 41 out of 42 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus269.7KN/AAdriaanse, Dekker, et al., 1964Uncertainty assigned by TRC = 0.05 K; TRC
Tfus269.2KN/ACostello and Bowden, 1958Uncertainty assigned by TRC = 0.5 K; TRC
Tfus269.KN/ATimmermans, 1935Uncertainty assigned by TRC = 1.5 K; TRC
Tfus269.KN/AGartenmeister, 1886Uncertainty assigned by TRC = 4. K; TRC
Tfus271.4KN/AGartenmeister, 1886Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Tc655.1KN/AAndereya and Chase, 1990Uncertainty assigned by TRC = 1. K; TRC
Tc663.KN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 1. K; TRC
Tc669.63KN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 3. K; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Pc33.33atmN/AAndereya and Chase, 1990Uncertainty assigned by TRC = 0.39 atm; TRC
Pc31.58atmN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 0.987 atm; TRC
Pc31.1319atmN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 0.89 atm; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Deltavap16.5 ± 0.2kcal/molGSVerevkin, 2000Based on data from 297. - 328. K.; AC
Deltavap17.0kcal/molCGCChickos, Hosseini, et al., 1995Based on data from 353. - 393. K.; AC
Deltavap17.5 ± 0.48kcal/molVKruif and Oonk, 1979ALS
Deltavap17.5 ± 0.48kcal/molTEKruif and Oonk, 1979Based on data from 270. - 280. K.; AC
Deltavap17.0 ± 0.3kcal/molVAdriaanse, Dekker, et al., 1965Heat of formation derived by Cox and Pilcher, 1970; ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
16.3 ± 0.2313.GSVerevkin, 2000Based on data from 297. - 328. K.; AC
15.8350.AStephenson and Malanowski, 1987Based on data from 335. - 487. K. See also Dykyj, 1972.; AC
16.9271.N/Ade Kruif, Schaake, et al., 1982AC
15.9386.N/ARose, Acciarri, et al., 1957Based on data from 371. - 452. K. See also Boublik, Fried, et al., 1984.; AC
15.4367.ICramer, 1943AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
371.3 - 452.34.342821512.718-129.255Rose, Acciarri, et al., 1957Coefficents calculated by NIST from author's data.

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:


References

Go To: Top, Phase change data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Adriaanse, Dekker, et al., 1964
Adriaanse, N.; Dekker, H.; Coops, J., Some Physical Constants of Normal, Saturated Fatty Acids and Their Methyl Esters, Recl. Trav. Chim. Pays-Bas, 1964, 83, 557. [all data]

Costello and Bowden, 1958
Costello, J.M.; Bowden, S.T., The temperature variation of orthobaric density difference in liquid- vapour systems: IV fatty acids, Recl. Trav. Chim. Pays-Bas, 1958, 77, 803. [all data]

Timmermans, 1935
Timmermans, J., Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds., Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]

Gartenmeister, 1886
Gartenmeister, R., Investigation of the physical characterstics of liquid compounds: vi boiling point and specific volume of normal fatty acid esters, Justus Liebigs Ann. Chem., 1886, 233, 249-315. [all data]

Andereya and Chase, 1990
Andereya, E.; Chase, J.D., Chem. Eng. Technol., 1990, 13, 304-12. [all data]

Ambrose and Ghiassee, 1987
Ambrose, D.; Ghiassee, N.B., Vapor Pressures and Critical Temperatures and Critical Pressures of Some Alkanoic Acids: C1 to C10, J. Chem. Thermodyn., 1987, 19, 505. [all data]

D'Souza and Teja, 1987
D'Souza, R.; Teja, A.S., The prediction of the vapor pressures of carboxylic acids, Chem. Eng. Commun., 1987, 61, 13. [all data]

Verevkin, 2000
Verevkin, S.P., Measurement and Prediction of the Monocarboxylic Acids Thermochemical Properties, J. Chem. Eng. Data, 2000, 45, 5, 953-960, https://doi.org/10.1021/je990282m . [all data]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Kruif and Oonk, 1979
Kruif, C.G.; Oonk, H.A.J., Enthalpies of vaporization and vapour pressures of seven aliphatic carboxylic acids, J. Chem. Thermodyn., 1979, 11, 287-290. [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]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Dykyj, 1972
Dykyj, J., Petrochemia, 1972, 12, 1, 13. [all data]

de Kruif, Schaake, et al., 1982
de Kruif, C.G.; Schaake, R.C.F.; van Miltenburg, J.C.; van der Klauw, K.; Blok, J.G., Thermodynamic properties of the normal alkanoic acids III. Enthalpies of vaporization and vapour pressures of 13 normal alkanoic acids, The Journal of Chemical Thermodynamics, 1982, 14, 8, 791-798, https://doi.org/10.1016/0021-9614(82)90176-8 . [all data]

Rose, Acciarri, et al., 1957
Rose, Arthur.; Acciarri, Jerry A.; Johnson, R. Curtis.; Sanders, W.W., Automatic Computation of Antoine Equation 31 Constants---Caproic and Caprylic Acids and Methyl Esters, Ind. Eng. Chem., 1957, 49, 1, 104-109, https://doi.org/10.1021/ie50565a036 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Cramer, 1943
Cramer, K.S.N., Chem. Zentr. II, 1943, 2234. [all data]


Notes

Go To: Top, Phase change data, References