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Cyclohexanone

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
BS - Robert L. Brown and Stephen E. Stein
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
Tboil428. ± 2.KAVGN/AAverage of 21 out of 23 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus243. ± 10.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple245.21KN/ANakamura, Suga, et al., 1980Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple242.4KN/AWuerflinger and Kreutzenbeck, 1978Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tc664.3KN/AQuadri and Kudchadker, 1991Uncertainty assigned by TRC = 3. K; TRC
Tc653.KN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 3. K; TRC
Tc629.15KN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Pc45.40atmN/AQuadri and Kudchadker, 1991Uncertainty assigned by TRC = 0.987 atm; TRC
Pc39.48atmN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 0.49 atm; TRC
Pc38.0000atmN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 2.0000 atm; TRC
Quantity Value Units Method Reference Comment
Deltavap10.6 ± 0.9kcal/molAVGN/AAverage of 7 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
320.20.020Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
10.786428.8N/ASvoboda, Kubes, et al., 1992Value corrected to 298.15 K.; DH
10.3358.EBTeodorescu, Barhala, et al., 2006Based on data from 343. - 427. K.; AC
10.5333.N/AAucejo, Monton, et al., 1993Based on data from 318. - 428. K.; AC
10.6 ± 0.02308.CSvoboda, Kubes, et al., 1992AC
10.5 ± 0.02313.CSvoboda, Kubes, et al., 1992AC
10.4 ± 0.02323.CSvoboda, Kubes, et al., 1992AC
10.3 ± 0.02328.CSvoboda, Kubes, et al., 1992AC
10.1 ± 0.02338.CSvoboda, Kubes, et al., 1992AC
9.99 ± 0.02343.CSvoboda, Kubes, et al., 1992AC
9.89 ± 0.02348.CSvoboda, Kubes, et al., 1992AC
10.1360.EBAmbrose and Ghiassee, 1987, 2Based on data from 345. - 458. K.; AC
9.92377.A,EBStephenson and Malanowski, 1987Based on data from 362. - 439. K. See also Meyer and Hotz, 1973.; AC
9.66410.N/ACastellari, Francesconi, et al., 1984Based on data from 395. - 426. K.; AC
9.63286.N/ARadulescu and Alexa, 1938Based on data from 273. - 298. K.; AC

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
362.78 - 438.924.0976 ± 0.000991495.51 ± 0.67-63.598 ± 0.075Meyer and Hotz, 1973

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Reference Comment
11.8254.Nitta and Seki, 1948Based on data from 243. - 265. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
0.318245.2Nakamura, Suga, et al., 1980, 2AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
9.20221.Gonthier-Vassal and Szwarc, 1998CAL
1.2242.6

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
9.374220.8Nakamura, Suga, et al., 1980CAL
1.30245.2

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.0697220.83crystaline, IIcrystaline, INakamura, Suga, et al., 1980, 2DH
0.31730245.21crystaline, IliquidNakamura, Suga, et al., 1980, 2DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
9.374220.83crystaline, IIcrystaline, INakamura, Suga, et al., 1980, 2DH
1.294245.21crystaline, IliquidNakamura, Suga, et al., 1980, 2DH

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.

Nakamura, Suga, et al., 1980
Nakamura, N.; Suga, H.; Seki, S., Calorimetric study on orientationally disordered crystals. Cyclohexene oxide and cyclohexanone., Bull. Chem. Soc. Japan, 1980, 53, 10, 2755, https://doi.org/10.1246/bcsj.53.2755 . [all data]

Wuerflinger and Kreutzenbeck, 1978
Wuerflinger, A.; Kreutzenbeck, J., J. Phys. Chem. Solids, 1978, 39, 193. [all data]

Quadri and Kudchadker, 1991
Quadri, S.K.; Kudchadker, A.P., Measurement of the critical temperatures and critical pressures of some thermally stable or mildly unstable esters, ketones, and ethers, J. Chem. Thermodyn., 1991, 23, 129-34. [all data]

Ambrose and Ghiassee, 1987
Ambrose, D.; Ghiassee, N.B., Vapor Pressures and Critical Temperatures and Critical Pressures of C5 and C6 Cyclic Alcohols and Ketones, J. Chem. Thermodyn., 1987, 19, 903. [all data]

Glaser and Ruland, 1957
Glaser, F.; Ruland, H., Untersuchungsen über dampfdruckkurven und kritische daten einiger technisch wichtiger organischer substanzen, Chem. Ing. Techn., 1957, 29, 772. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]

Teodorescu, Barhala, et al., 2006
Teodorescu, Mariana; Barhala, Alexandru; Dragoescu, Dana, Isothermal (vapour+liquid) equilibria for the binary (cyclopentanone or cyclohexanone with 1,1,2,2-tetrachloroethane) systems at temperatures of (343.15, 353.15, and 363.15)K, The Journal of Chemical Thermodynamics, 2006, 38, 11, 1432-1437, https://doi.org/10.1016/j.jct.2006.01.010 . [all data]

Aucejo, Monton, et al., 1993
Aucejo, Antonio; Monton, Juan B.; Munoz, Rosa; Sanchotello, Margarita, Isobaric vapor-liquid equilibrium data for the cyclohexanone + N-methylacetamide system, J. Chem. Eng. Data, 1993, 38, 1, 160-162, https://doi.org/10.1021/je00009a039 . [all data]

Ambrose and Ghiassee, 1987, 2
Ambrose, D.; Ghiassee, N.B., Vapour pressures and critical temperatures and critical pressures of C5 and C6 cyclic alcohols and ketones, The Journal of Chemical Thermodynamics, 1987, 19, 9, 903-909, https://doi.org/10.1016/0021-9614(87)90036-X . [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]

Meyer and Hotz, 1973
Meyer, Edwin F.; Hotz, Roger D., High-precision vapor-pressure data for eight organic compounds, J. Chem. Eng. Data, 1973, 18, 4, 359-362, https://doi.org/10.1021/je60059a008 . [all data]

Castellari, Francesconi, et al., 1984
Castellari, Carlo; Francesconi, Romolo; Comelli, Fabio, Vapor-liquid equilibriums in binary systems containing 1,3-dioxolane at isobaric conditions. 5. Binary mixtures of 1,3-dioxolane with cyclohexanone and cyclohexanol, J. Chem. Eng. Data, 1984, 29, 1, 90-93, https://doi.org/10.1021/je00035a029 . [all data]

Radulescu and Alexa, 1938
Radulescu, D.; Alexa, M., Bull. Chem. Soc. Romania, 1938, 20A, 89. [all data]

Nitta and Seki, 1948
Nitta, I.; Seki, S., J. Chem. Soc. Jpn. Pure Chem. Sect., 1948, 69, 141. [all data]

Nakamura, Suga, et al., 1980, 2
Nakamura, N.; Suga, H.; Seki, S., Calorimetric study on orientationally disordered crystals. Cyclohexene oxide and cyclohexanone, Bull. Chem. Soc. Japan, 1980, 53(10), 2755-2761. [all data]

Gonthier-Vassal and Szwarc, 1998
Gonthier-Vassal, A.; Szwarc, H., Thermochim. Acta, 1998, 141. [all data]


Notes

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