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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
AC - William E. Acree, Jr., James S. Chickos
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
Tboil664.5KN/AWeast and Grasselli, 1989BS
Tboil597.3KN/ATsakalotos, 1906Uncertainty assigned by TRC = 4. K; TRC
Tboil516.KN/AKrafft, 1883Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
Tfus324. ± 3.KAVGN/AAverage of 35 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple323.65KN/ADomanska and Wyrzykowska-Stankiewicz, 1991Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tc800. ± 8.KN/AAmbrose and Tsonopoulos, 1995 
Tc799.8KN/ANikitin, Pavlov, et al., 1994Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Pc9. ± 2.atmN/AAmbrose and Tsonopoulos, 1995 
Pc8.55atmN/ANikitin, Pavlov, et al., 1994Uncertainty assigned by TRC = 0.39 atm; TRC
Quantity Value Units Method Reference Comment
Deltavap29.13kcal/molCGCChickos and Hanshaw, 2004Based on data from 434. - 539. K.; AC
Deltavap30.31 ± 0.1kcal/molCGCChickos, Webb, et al., 2002AC
Deltavap30.04 ± 0.38kcal/molCGCNichols, Orf, et al., 2000AC
Deltavap30.16 ± 0.55kcal/molCGCChickos and Wilson, 1997AC
Quantity Value Units Method Reference Comment
Deltasub38.7 ± 2.9kcal/molBPiacente, Pompili, et al., 1991AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
504.50.013Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
25.1 ± 0.1353.N/ARazzouk, Naccoul, et al., 2009Based on data from 333. - 373. K.; AC
26.8349.GCLee, Lai, et al., 2007Based on data from 334. - 452. K.; AC
22.1468.N/AMorgan and Kobayashi, 1994Based on data from 453. - 588. K.; AC
30.1 ± 0.5405.TEPiacente, Fontana, et al., 1994Based on data from 386. - 425. K.; AC
22.8397.TE,ME,GSPiacente, Pompili, et al., 1991Based on data from 382. - 523. K.; AC
20.6 ± 1.1474.GSPiacente and Scardala, 1990Based on data from 451. - 497. K.; AC
26.58388.N/ASasse, Jose, et al., 1988Based on data from 373. - 463. K.; AC
20.7513.A,ESTStephenson and Malanowski, 1987Based on data from 498. - 573. K. See also Kudchadker and Zwolinski, 1966.; AC

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
457.0 - 659.65.73263463.273-55.121Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Reference Comment
39.41 ± 0.43315.Razzouk, Naccoul, et al., 2009Based on data from 308. - 323. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
14.18324.1DSCHafsaoui and Mahmoud, 2007AC
12.9323.4DSCMondieig, Rajabalee, et al., 2004AC
13.12324.1N/ADomalski and Hearing, 1996AC
19.539322.0N/ASyunyaev, Tumanyan, et al., 1984Relative error in determination ± 5%.; DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
60.68322.0Syunyaev, Tumanyan, et al., 1984Relative; DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
23.28321.3Domalski and Hearing, 1996CAL

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
7.5287321.1crystaline, IIcrystaline, IBarbillon, Schuffenecker, et al., 1991DH
12.906323.5crystaline, IliquidBarbillon, Schuffenecker, et al., 1991DH
6.9682321.0crystaline, IIcrystaline, IClaudy and Letoffe, 1991DH
12.995323.8crystaline, IliquidClaudy and Letoffe, 1991DH
6.6157318.90crystaline, IIcrystaline, IDomanska and Wyrzykowska-Stankiewicz, 1991, 2DH
13.697323.65crystaline, IliquidDomanska and Wyrzykowska-Stankiewicz, 1991, 2DH
7.4799321.35crystaline, IIcrystaline, ICompany, 1973DH
13.120323.85crystaline, IliquidCompany, 1973DH
7.4799321.25crystaline, IIcrystaline, ISchaerer, Busso, et al., 1955DH
13.120323.75crystaline, IliquidSchaerer, Busso, et al., 1955DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
23.3321.35crystaline, IIcrystaline, ICompany, 1973DH
40.54323.85crystaline, IliquidCompany, 1973DH
23.3321.25crystaline, IIcrystaline, ISchaerer, Busso, et al., 1955DH
40.51323.75crystaline, IliquidSchaerer, Busso, et al., 1955DH

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.

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]

Tsakalotos, 1906
Tsakalotos, D.E., C. R. Hebd. Seances Acad. Sci., 1906, 143, 1235. [all data]

Krafft, 1883
Krafft, F., Chem.-Ztg., 1883, 7, 153. [all data]

Domanska and Wyrzykowska-Stankiewicz, 1991
Domanska, U.; Wyrzykowska-Stankiewicz, D., Enthalpies of fusion and solid-solid transition of even-numbered paraffins docosane, hexacosane, octacosane and tetracosane, Thermochim. Acta, 1991, 179, 265-71. [all data]

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]

Nikitin, Pavlov, et al., 1994
Nikitin, E.D.; Pavlov, P.A.; Bessonova, N.V., Critical constants of n-alkanes with from 17 to 24 carbon atoms, J. Chem. Thermodyn., 1994, 26, 177-82. [all data]

Chickos and Hanshaw, 2004
Chickos, James S.; Hanshaw, William, Vapor Pressures and Vaporization Enthalpies of the n -Alkanes from C 21 to C 30 at T = 298.15 K by Correlation Gas Chromatography, J. Chem. Eng. Data, 2004, 49, 1, 77-85, https://doi.org/10.1021/je0301747 . [all data]

Chickos, Webb, et al., 2002
Chickos, James S.; Webb, Paul; Nichols, Gary; Kiyobayashi, Tetsu; Cheng, Pei-Chao; Scott, Lawrence, The enthalpy of vaporization and sublimation of corannulene, coronene, and perylene at T= 298.15 K, The Journal of Chemical Thermodynamics, 2002, 34, 8, 1195-1206, https://doi.org/10.1006/jcht.2002.0977 . [all data]

Nichols, Orf, et al., 2000
Nichols, Gary; Orf, Jennifer; Reiter, Sarah M.; Chickos, James; Gokel, George W., The vaporization enthalpies of some crown and polyethers by correlation gas chromatography, Thermochimica Acta, 2000, 346, 1-2, 15-28, https://doi.org/10.1016/S0040-6031(99)00405-0 . [all data]

Chickos and Wilson, 1997
Chickos, James S.; Wilson, Joe A., Vaporization Enthalpies at 298.15 K of the n -Alkanes from C 21 to C 28 and C 30, J. Chem. Eng. Data, 1997, 42, 1, 190-197, https://doi.org/10.1021/je960089h . [all data]

Piacente, Pompili, et al., 1991
Piacente, Vincenzo; Pompili, Tiziano; Scardala, Paolo; Ferro, Daniela, Temperature dependence of the vaporization enthalpies of n-alkanes from vapour-pressure measurements, The Journal of Chemical Thermodynamics, 1991, 23, 4, 379-396, https://doi.org/10.1016/S0021-9614(05)80092-8 . [all data]

Razzouk, Naccoul, et al., 2009
Razzouk, Antonio; Naccoul, Ramy Abou; Mokbel, Ilham; Saab, Joseph; Jose, Jacques, Vapor and Sublimation Pressures of Three Normal Alkanes: C 20 , C 24 , and C 28, J. Chem. Eng. Data, 2009, 54, 4, 1214-1219, https://doi.org/10.1021/je800534x . [all data]

Lee, Lai, et al., 2007
Lee, Ming-Jer; Lai, Cheng-Hai; Wang, Tzu-Bing; Lin, Ho-Mu, Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water, J. Chem. Eng. Data, 2007, 52, 4, 1291-1296, https://doi.org/10.1021/je700027n . [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]

Piacente, Fontana, et al., 1994
Piacente, Vincenzo; Fontana, Danilo; Scardala, Paolo, Enthalpies of Vaporization of a Homologous Series of n-Alkanes Determined from Vapor Pressure Measurements, J. Chem. Eng. Data, 1994, 39, 2, 231-237, https://doi.org/10.1021/je00014a009 . [all data]

Piacente and Scardala, 1990
Piacente, Vincenzo; Scardala, Paolo, Vaporization enthalpies and entropies of some n-alkanes, Thermochimica Acta, 1990, 159, 193-200, https://doi.org/10.1016/0040-6031(90)80108-B . [all data]

Sasse, Jose, et al., 1988
Sasse, Karim; Jose, Jacques; Merlin, Jean-Claude, A static apparatus for measurement of low vapor pressures. Experimental results on high molecular-weight hydrocarbons, Fluid Phase Equilibria, 1988, 42, 287-304, https://doi.org/10.1016/0378-3812(88)80065-7 . [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]

Kudchadker and Zwolinski, 1966
Kudchadker, A.P.; Zwolinski, B.J., Vapor Pressure and Boiling Points of Normal Alkanes, C 21 to C 100 ., J. Chem. Eng. Data, 1966, 11, 2, 253-255, https://doi.org/10.1021/je60029a039 . [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]

Hafsaoui and Mahmoud, 2007
Hafsaoui, S.L.; Mahmoud, R., Solid-liquid equilibria of binary systems containing n-tetracosane with naphthalene or dibenzofuran, J Therm Anal Calorim, 2007, 88, 2, 565-570, https://doi.org/10.1007/s10973-006-8084-2 . [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]

Syunyaev, Tumanyan, et al., 1984
Syunyaev, Z.I.; Tumanyan, B.P.; Kolesnikov, S.I.; Zhokhova, N.I., Some anomalies in melting points of binary mixtures of solid hydrocarbons, Zhur. Prikl. Khim. (Leningrad), 1984, 57, 666-669. [all data]

Barbillon, Schuffenecker, et al., 1991
Barbillon, P.; Schuffenecker, L.; Dellacherie, J.; Balesdent, D.; Dirande, M., Variation d'enthalpie subie de 260 K a 340 K par les n-paraffines, comprises entrel'octadecane et l'hexacosane, J. Chim. Phys. Phys.-Chim. Biol., 1991, 88, 91-113. [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]

Domanska and Wyrzykowska-Stankiewicz, 1991, 2
Domanska, U.; Wyrzykowska-Stankiewicz, D., Enthalpies of fusion and solid-solid transition of even-numbered paraffins docosane, hexacosane, octacosane and tetracosane, Thermochim. Acta, 1991, 179, 265-271. [all data]

Company, 1973
Company, J.C., Measurement and interpretation of crystallization equilibriums of heavy paraffin and aromatic hydrocarbon solutions, Chem. Eng. Sci., 1973, 28, 318-323. [all data]

Schaerer, Busso, et al., 1955
Schaerer, A.A.; Busso, C.J.; Smith, A.E.; Skinner, L.B., Properties of pure normal alkanes in the C17 to C36 range, J. Am. Chem. Soc., 1955, 77, 2017-2019. [all data]


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