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2-Hexanone

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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
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil400. ± 2.KAVGN/AAverage of 35 out of 36 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus216.25KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Ttriple217.69KN/AAndon, Counsell, et al., 1970Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Tc586.6KN/APulliam, Gude, et al., 1994Uncertainty assigned by TRC = 0.4 K; by the sealed ampule method; TRC
Tc587.KN/AMajer and Svoboda, 1985 
Tc587.0KN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Pc33.20barN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.80 bar; TRC
Quantity Value Units Method Reference Comment
rhoc2.67mol/lN/APulliam, Gude, et al., 1994Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap42.8 ± 0.7kJ/molAVGN/AAverage of 8 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
43.100400.7N/ASvoboda, Kubes, et al., 1992Value corrected to 298.15 K.; DH
36.35400.7N/AMajer and Svoboda, 1985 
39.0374.EBSiimer, Kirss, et al., 2002Based on data from 359. - 401. K.; AC
42.5 ± 0.1308.CSvoboda, Kubes, et al., 1992AC
41.6 ± 0.1323.CSvoboda, Kubes, et al., 1992AC
40.7 ± 0.1338.CSvoboda, Kubes, et al., 1992AC
40.1 ± 0.1348.CSvoboda, Kubes, et al., 1992AC
39.5 ± 0.1358.CSvoboda, Kubes, et al., 1992AC
40.8308.AStephenson and Malanowski, 1987Based on data from 293. - 411. K.; AC
43.8294.AStephenson and Malanowski, 1987Based on data from 279. - 423. K.; AC
41.5325.AStephenson and Malanowski, 1987Based on data from 310. - 427. K.; AC
36.7436.AStephenson and Malanowski, 1987Based on data from 421. - 523. K.; AC
36.1528.AStephenson and Malanowski, 1987Based on data from 513. - 587. K.; AC
53.8295.N/AStull, 1947Based on data from 280. - 400. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 368.60.610.2794587.Majer and Svoboda, 1985 

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
280.9 - 400.75.667152011.668-45.364Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
14.900217.69Andon, Counsell, et al., 1970, 2DH
14.9217.7Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
68.44217.69Andon, Counsell, et al., 1970, 2DH
68.42217.7Domalski and Hearing, 1996CAL

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.

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]

Andon, Counsell, et al., 1970
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F., Thermodynamic Properties of Organic Oxygen Compounds Part XXIII. Low- temperature Heat Capacity and Entropy of C6, C7, and C9 Ketones, J. Chem. Soc. A, 1970, 1970, 833. [all data]

Pulliam, Gude, et al., 1994
Pulliam, M.K.; Gude, M.T.; Teja, A.S., The Critical Properties of Twelve Isomeric n-Alkanones with Six to Nine Carbon Atoms, Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Ser. No. 2, p. 184-87. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Ambrose, Broderick, et al., 1974
Ambrose, D.; Broderick, B.E.; Townsend, R., The Critical Temperatures and Pressures of Thirty Organic Compounds, J. Appl. Chem. Biotechnol., 1974, 24, 359. [all data]

Svoboda, Kubes, et al., 1992
Svoboda, V.; Kubes, V.; Basarova, P., Enthalpies of vaporization and cohesive energies of hexan-2-one, 2-methylpentan-4-one, 2,2-dimethylbutan-3-one, 2,6-dimethylheptan-4-one and cyclohexanone, J. Chem. Thermodynam., 1992, 24, 333-336. [all data]

Siimer, Kirss, et al., 2002
Siimer, E.; Kirss, H.; Kuus, M.; Kudryavtseva, L., Proc. Est. Acad. Sci. Chem., 2002, 51, 1, 19. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Andon, Counsell, et al., 1970, 2
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part XXIII. Low-temperature heat capacity and entropy of C6, C7, and C9 ketones, 1970, J. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]


Notes

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