2-Pentanone

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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, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil375. ± 1.KAVGN/AAverage of 55 out of 57 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus196.27KN/ACollerson, Counsell, et al., 1965Uncertainty assigned by TRC = 0.02 K; TRC
Tfus196.29KN/ACollerson, Counsell, et al., 1965Uncertainty assigned by TRC = 0.01 K; TRC
Tfus195.4KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.25 K; TRC
Tfus194.0KN/AVan de Vloed, 1939Uncertainty assigned by TRC = 0.7 K; TRC
Tfus195.4KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Ttriple196.31KN/AAndon, Counsell, et al., 1968Crystal phase 1 phase; Uncertainty assigned by TRC = 0.04 K; TRC
Ttriple196.29KN/AOetting, 1965Uncertainty assigned by TRC = 0.07 K; TRC
Ttriple196.35KN/AOetting, 1965Uncertainty assigned by TRC = 0.06 K; TRC
Quantity Value Units Method Reference Comment
Tc561.1KN/AMajer and Svoboda, 1985 
Tc561.08KN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.2 K; TRC
Tc564.0KN/AKobe, Crawford, et al., 1955Uncertainty assigned by TRC = 0.56 K; TRC
Quantity Value Units Method Reference Comment
Pc36.46atmN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.20 atm; TRC
Pc38.39atmN/AKobe, Crawford, et al., 1955Uncertainty assigned by TRC = 0.477 atm; TRC
Quantity Value Units Method Reference Comment
ρc3.32mol/lN/AKobe, Crawford, et al., 1955Uncertainty assigned by TRC = 0.09 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap9.192kcal/molN/AMajer and Svoboda, 1985 
Δvap9.185kcal/molVUchytilova, Majer, et al., 1983ALS
Δvap9.18kcal/molCUchytilova, Majer, et al., 1983AC
Δvap9.15 ± 0.07kcal/molGCCSaluja, Peacock, et al., 1979AC
Δvap9.18kcal/molN/AAmbrose, Ellender, et al., 1975AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
7.992375.4N/AMajer and Svoboda, 1985 
8.63351.AStephenson and Malanowski, 1987Based on data from 336. - 422. K.; AC
8.05431.AStephenson and Malanowski, 1987Based on data from 416. - 501. K.; AC
7.96502.AStephenson and Malanowski, 1987Based on data from 487. - 561. K.; AC
8.72344.A,GS,EBStephenson and Malanowski, 1987Based on data from 329. - 385. K. See also Ambrose, Ellender, et al., 1975, Collerson, Counsell, et al., 1965, and Dykyj, 1972.; AC
9.44283.EBMeyer and Wagner, 1966Based on data from 268. - 373. K.; AC
8.63 ± 0.02335.CNickerson, Kobe, et al., 1961AC
8.22 ± 0.02360.CNickerson, Kobe, et al., 1961AC
7.98 ± 0.02375.CNickerson, Kobe, et al., 1961AC
7.84 ± 0.02386.CNickerson, Kobe, et al., 1961AC
7.70 ± 0.02394.CNickerson, Kobe, et al., 1961AC

Enthalpy of vaporization

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

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
298. - 395.13.240.2844561.1Majer and Svoboda, 1985 

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
329.80 - 384.804.136721311.145-58.457Collerson, Counsell, et al., 1965, 2 
334.87 - 394.574.143281311.315-58.934Nickerson, Kobe, et al., 1961Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.5390196.35Oetting, 1965, 2DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
12.93196.35Oetting, 1965, 2DH

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.05681110.crystaline, IIcrystaline, IAndon, Counsell, et al., 1968, 2Apparently a typographic error in H in paper; given as 137.7 J/mol.; DH
2.5411196.31crystaline, IliquidAndon, Counsell, et al., 1968, 2DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.521110.crystaline, IIcrystaline, IAndon, Counsell, et al., 1968, 2Apparently; DH
12.94196.31crystaline, IliquidAndon, Counsell, et al., 1968, 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.

Collerson, Counsell, et al., 1965
Collerson, R.R.; Counsell, J.F.; Handley, R.; Martin, J.F.; Sprake, C.H.S., 677. Thermodynamic properties of organic oxygen compounds. Part XV. Purification and vapour pressures of some ketones and ethers, J. Chem. Soc., 1965, 3697, https://doi.org/10.1039/jr9650003697 . [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Van de Vloed, 1939
Van de Vloed, A., Bull. Soc. Chim. Belg., 1939, 48, 229. [all data]

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., 1968
Andon, R.J.L.; Counsell, J.F.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part XX. The low- temperature heat capacity and entropy of C4 and C5 ketones., J. Chem. Soc. A, 1968, 1968, 1894-7. [all data]

Oetting, 1965
Oetting, F.L., Absolute Entropies of the Methyl Alkyl Ketones 1t 298.15 K, J. Chem. Eng. Data, 1965, 10, 122-5. [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]

Kobe, Crawford, et al., 1955
Kobe, K.A.; Crawford, H.R.; Stephenson, R.W., Critical Properties and Vapor Pressures of Some Ketones, Ind. Eng. Chem., 1955, 47, 1767-72. [all data]

Uchytilova, Majer, et al., 1983
Uchytilova, V.; Majer, V.; Svoboda, V.; Hynek, V., Enthalpies of vaporization and cohesive enrgies for seven aliphatic ketones, J. Chem. Thermodyn., 1983, 15, 853-858. [all data]

Saluja, Peacock, et al., 1979
Saluja, P.P.S.; Peacock, L.A.; Fuchs, R., Enthalpies of interaction of aliphatic ketones with polar and nonpolar solvents, J. Am. Chem. Soc., 1979, 101, 1958-1962. [all data]

Ambrose, Ellender, et al., 1975
Ambrose, D.; Ellender, J.H.; Lees, E.B.; Sprake, C.H.S.; Townsend, R., Thermodynamic properties of organic oxygen compounds XXXVIII. Vapour pressures of some aliphatic ketones, The Journal of Chemical Thermodynamics, 1975, 7, 5, 453-472, https://doi.org/10.1016/0021-9614(75)90275-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]

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

Meyer and Wagner, 1966
Meyer, Edwin F.; Wagner, Robert E., Cohesive Energies in Polar Organic Liquids, J. Phys. Chem., 1966, 70, 10, 3162-3168, https://doi.org/10.1021/j100882a025 . [all data]

Nickerson, Kobe, et al., 1961
Nickerson, J.K.; Kobe, K.A.; McKetta, John J., THE THERMODYNAMIC PROPERTIES OF THE METHYL KETONE SERIES, J. Phys. Chem., 1961, 65, 6, 1037-1043, https://doi.org/10.1021/j100824a038 . [all data]

Collerson, Counsell, et al., 1965, 2
Collerson, R.R.; Counsell, J.F.; Handley, R.; Martin, J.F.; Sprake, C.H.S., Thermodynamic Properties of Organic Oxygen Compounds. Part XV. Purification and Vapour Pressures of Some Ketones and Ethers, J. Chem. Soc., 1965, 3697-3700, https://doi.org/10.1039/jr9650003697 . [all data]

Oetting, 1965, 2
Oetting, F.L., Absolute entropies of the methyl alkyl ketones at 298.15 K, J. Chem. Eng. Data, 1965, 10, 122-125. [all data]

Andon, Counsell, et al., 1968, 2
Andon, R.J.L.; Counsell, J.F.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part XX. The low-temperature heat capacity and entropy of C4 and C5 ketones, J. Chem. Soc. A, 1968, 1894-1897. [all data]


Notes

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