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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
Tboil554. ± 10.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus291. ± 1.KAVGN/AAverage of 52 out of 54 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple291.3 ± 0.1KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tc722. ± 4.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Pc14. ± 2.atmN/AAmbrose and Tsonopoulos, 1995 
Pc13.83atmN/ARosenthal and Teja, 1989Uncertainty assigned by TRC = 0.49 atm; TRC
Quantity Value Units Method Reference Comment
Vc1.034l/molN/AAmbrose and Tsonopoulos, 1995 
Quantity Value Units Method Reference Comment
rhoc1. ± 0.2mol/lN/AAmbrose and Tsonopoulos, 1995 
rhoc0.967mol/lN/AAnselme, Gude, et al., 1990Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap19.4 ± 0.1kcal/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Deltasub32.29kcal/molBMorawetz, 1972AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
16.4408.N/AMorgan and Kobayashi, 1994Based on data from 393. - 583. K.; AC
14.3520.N/ALee, Dempsey, et al., 1992Based on data from 505. - 589. K.; AC
17.9338.AStephenson and Malanowski, 1987Based on data from 323. - 423. K.; AC
14.7482.A,MMStephenson and Malanowski, 1987Based on data from 467. - 563. K. See also Camin, Forziati, et al., 1954.; AC
16.0343.GCNováková and Novák, 1977AC
15.8353.GCNováková and Novák, 1977AC
15.7363.GCNováková and Novák, 1977AC
15.5373.GCNováková and Novák, 1977AC
15.3383.GCNováková and Novák, 1977AC
19.2300.MEBradley and Shellard, 1949Based on data from 293. - 308. K.; AC
22.3311.MEParks and Moore, 1949Based on data from 299. - 324. K.; AC
15.7455.MEUbbelohde, 1938Based on data from 442. - 469. 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 Comment
463.20 - 559.94.167411845.672-117.054Camin, Forziati, et al., 1954Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
32.24291.BBondi, 1963AC
19.2 ± 0.6288.VBradley and Shellard, 1949, 2hfusion=10.93±1.6 kcal/mol; ALS
20. ± 2.288. - 290.MEBradley and Shellard, 1949, 2AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
11.364292.1N/AClaudy and Letoffe, 1991DH
12.753291.34N/AFinke, Gross, et al., 1954DH
12.7290.7DSCMondieig, Rajabalee, et al., 2004AC
12.30291.1N/ADomalski and Hearing, 1996AC
12.319291.1N/AParks, Moore, et al., 1949DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
43.774291.34Finke, Gross, et al., 1954DH
42.33291.1Parks, Moore, et al., 1949DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
43.769291.3Domalski 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:


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.

Ambrose and Tsonopoulos, 1995
Ambrose, D.; Tsonopoulos, C., Vapor-Liquid Critical Properties of Elements and Compounds. 2. Normal Alkenes, J. Chem. Eng. Data, 1995, 40, 531-546. [all data]

Rosenthal and Teja, 1989
Rosenthal, D.J.; Teja, A.S., The Critical Properties of n-Alkanes Using a Low-Residence Time Flow Apparatus, AIChE J., 1989, 35, 1829. [all data]

Anselme, Gude, et al., 1990
Anselme, M.J.; Gude, M.; Teja, A.S., The Critical Temperatures and Densities of the n-Alkanes from Pentane to Octadecane, Fluid Phase Equilib., 1990, 57, 317-26. [all data]

Morawetz, 1972
Morawetz, Ernst, Correlation of sublimation enthalpies at 298.15 K with molecular structure for planar aromatic hydrocarbons, The Journal of Chemical Thermodynamics, 1972, 4, 3, 461-467, https://doi.org/10.1016/0021-9614(72)90030-4 . [all data]

Morgan and Kobayashi, 1994
Morgan, David L.; Kobayashi, Riki, Direct vapor pressure measurements of ten n-alkanes m the 10-C28 range, Fluid Phase Equilibria, 1994, 97, 211-242, https://doi.org/10.1016/0378-3812(94)85017-8 . [all data]

Lee, Dempsey, et al., 1992
Lee, Chang Ha; Dempsey, Dennis M.; Mohamed, Rahoma S.; Holder, Gerald D., Vapor-liquid equilibria in the systems of n-decane/tetralin, n-hexadecane/tetralin, n-decane/1-methylnaphthalene, and 1-methylnaphthalene/tetralin, J. Chem. Eng. Data, 1992, 37, 2, 183-186, https://doi.org/10.1021/je00006a012 . [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]

Camin, Forziati, et al., 1954
Camin, David L.; Forziati, Alphonse F.; Rossini, Frederick D., Physical Properties of n-Hexadecane, n-Decylcyclopentane, n-Decylcyclohexane, 1-Hexadecene and n-Decylbenzene, J. Phys. Chem., 1954, 58, 5, 440-442, https://doi.org/10.1021/j150515a015 . [all data]

Nováková and Novák, 1977
Nováková, N.; Novák, J., Measurement of heats of vaporization by means of a gas chromatograph, Journal of Chromatography A, 1977, 135, 1, 13-24, https://doi.org/10.1016/S0021-9673(00)86297-4 . [all data]

Bradley and Shellard, 1949
Bradley, R.S.; Shellard, A.D., The theory of molecular distillation and its experimental verification, Trans. Faraday Soc., 1949, 45, 501, https://doi.org/10.1039/tf9494500501 . [all data]

Parks and Moore, 1949
Parks, George S.; Moore, George E., Vapor Pressure and Other Thermodynamic Data for n-Hexadecane and n-Dodecylcyclohexane near Room Temperature, J. Chem. Phys., 1949, 17, 11, 1151, https://doi.org/10.1063/1.1747130 . [all data]

Ubbelohde, 1938
Ubbelohde, A.R., Structure and thermodynamic properties of long-chain compounds, Trans. Faraday Soc., 1938, 34, 282, https://doi.org/10.1039/tf9383400282 . [all data]

Bondi, 1963
Bondi, A., Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments., J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027 . [all data]

Bradley and Shellard, 1949, 2
Bradley, R.S.; Shellard, A.D., The rate of evaporation of droplets. III. Vapour pressures and rates of evaporation of straight-chain paraffin hydrocarbons, Proc. Roy. Soc. London A, 1949, 198, 239-251. [all data]

Claudy and Letoffe, 1991
Claudy, P.; Letoffe, J.M., Phase transitions in even n-alkanes CnH2n+2, n = 16-28. Characterization by differential calorimetric analysis and by thermooptical analysis. Effect of deuteration, Calorim. Anal. Therm., 1991, 22, 281-290. [all data]

Finke, Gross, et al., 1954
Finke, H.L.; Gross, M.E.; Waddington, G.; Huffman, H.M., Low-temperature thermal data for the nine normal paraffin hydrocarbons from octane to hexadecane, J. Am. Chem. Soc., 1954, 76, 333-341. [all data]

Mondieig, Rajabalee, et al., 2004
Mondieig, D.; Rajabalee, F.; Metivaud, V.; Oonk, H.A.J.; Cuevas-Diarte, M.A., n -Alkane Binary Molecular Alloys, Chem. Mater., 2004, 16, 5, 786-798, https://doi.org/10.1021/cm031169p . [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]

Parks, Moore, et al., 1949
Parks, G.S.; Moore, G.E.; Renquist, M.L.; Naylor, B.F.; McClaine, L.A.; Fujii, P.S.; Hatton, J.A., Thermal data on organic compounds. XXV. Some heat capacity, entropy and free energy data for nine hydrocarbons of high molecular weight, J. Am. Chem. Soc., 1949, 71, 3386-3389. [all data]


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