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Octadecane

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Gas phase thermochemistry 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 by: H.Y. Afeefy, J.F. Liebman, and S.E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-414.6 ± 2.7kJ/molCcbProsen and Rossini, 1945 

Condensed phase thermochemistry 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:
ALS - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DH - E.S. Domalski and E.D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-505.4 ± 2.7kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Deltacliquid-12008.7 ± 2.4kJ/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -505.22 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid696.6J/mol*KN/AParks, Moore, et al., 1949Supercooled liquid. Extrapolation below 80 K, 127.7 J/mol*K.; DH
Quantity Value Units Method Reference Comment
Deltafsolid-567.4 ± 4.8kJ/molCcbParks, West, et al., 1946Reanalyzed by Cox and Pilcher, 1970, Original value = -568.7 ± 0.2 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-11946.5 ± 4.8kJ/molCcbParks, West, et al., 1946Reanalyzed by Cox and Pilcher, 1970, Original value = -11945.5 ± 4.8 kJ/mol; Corresponding «DELTA»fsolid = -567.48 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar480.20J/mol*KN/AMesserly, Guthrie, et al., 1967DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
568.325.Hoehne, 1981T = 300 to 500 K. Cv = 2.20 J/g*K.; DH
564.4300.Parks, Moore, et al., 1949T = 80 to 300 K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
485.64298.15Messerly, Guthrie, et al., 1967T = 12 to 380 K.; DH

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 - R.L. Brown and S.E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, M. Frenkel director
AC - W.E. Acree, Jr., J.S. Chickos
ALS - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DH - E.S. Domalski and E.D. Hearing

Quantity Value Units Method Reference Comment
Tboil589.3KN/AWeast and Grasselli, 1989BS
Tboil581.KN/AMatsui and Arakawa, 1932Uncertainty assigned by TRC = 3. K; TRC
Tboil581.65KN/AVon Braun and Sobecki, 1911Uncertainty assigned by TRC = 2.5 K; TRC
Tboil585.65KN/ASorabji, 1885Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus301.0 ± 0.7KAVGN/AAverage of 35 out of 37 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple301.KN/AMesserly, Guthrie, et al., 1967, 2Uncertainty assigned by TRC = 0.04 K; TRC
Ttriple301.3KN/AParks, Moore, et al., 1949, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc747. ± 3.KN/AAmbrose and Tsonopoulos, 1995 
Tc745.8KN/AAnselme, Gude, et al., 1990Uncertainty assigned by TRC = 3.4 K; TRC
Tc747.7KN/ARosenthal and Teja, 1989Uncertainty assigned by TRC = 1. K; TRC
Tc747.2KN/ATeja, Lee, et al., 1989TRC
Tc756.15KN/AAmbrose, 1963Uncertainty assigned by TRC = 0.005 K; TRC
Quantity Value Units Method Reference Comment
Pc13. ± 2.barN/AAmbrose and Tsonopoulos, 1995 
Pc12.92barN/ARosenthal and Teja, 1989Uncertainty assigned by TRC = 1.10 bar; TRC
Quantity Value Units Method Reference Comment
Vc1.189l/molN/AAmbrose and Tsonopoulos, 1995 
Quantity Value Units Method Reference Comment
rhoc0.8 ± 0.2mol/lN/AAmbrose and Tsonopoulos, 1995 
rhoc0.841mol/lN/AAnselme, Gude, et al., 1990Uncertainty assigned by TRC = 0.02 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap92. ± 1.kJ/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Deltasub152.7kJ/molCMorawetz, 1972AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
74.4428.N/AMorgan and Kobayashi, 1994Based on data from 413. - 588. K.; AC
64.8516.AStephenson and Malanowski, 1987Based on data from 501. - 548. K.; AC
84.3333.A,GSStephenson and Malanowski, 1987Based on data from 318. - 361. K. See also Macknick and Prausnitz, 1979.; AC
80.0348.GSAllemand, Jose, et al., 1986Based on data from 335. - 439. K.; AC
72.5343.GCNováková and Novák, 1977AC
71.8353.GCNováková and Novák, 1977AC
71.1363.GCNováková and Novák, 1977AC
70.5373.GCNováková and Novák, 1977AC
69.8383.GCNováková and Novák, 1977AC
78.1460.MEUbbelohde, 1938Based on data from 447. - 474. K.; AC
69.4462.N/AKrafft, 1882Based on data from 447. - 590. K. See also Boublik, Fried, et al., 1984.; AC

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
447.7 - 590.4.332092068.963-111.927Krafft, 1882Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
153.1 ± 5.0288.VBradley and Shellard, 1949hfusion=14.94±2.0 kcal/mol; ALS
153. ± 5.293.MEBradley and Shellard, 1949Based on data from 288. - 298. K. See also Jones, 1960 and Cox and Pilcher, 1970, 2.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
61.500301.5N/ABarbillon, Schuffenecker, et al., 1991DH
60.760301.0N/AKolesnikov and Syunyaev, 1985DH
61.706301.33N/AMesserly, Guthrie, et al., 1967DH
60.1301.1DSCMondieig, Rajabalee, et al., 2004AC
61.5301.3N/ADomalski and Hearing, 1996AC
60.484301.3N/AParks, Moore, et al., 1949DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
201.9301.0Kolesnikov and Syunyaev, 1985DH
204.6301.33Messerly, Guthrie, et al., 1967DH
200.7301.3Parks, Moore, et al., 1949DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
60.670300.7crystaline, IliquidClaudy and Letoffe, 1991DH
61.379301.35crystaline, IliquidSchaerer, Busso, et al., 1955DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
203.6301.35crystaline, 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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: H.Y. Afeefy, J.F. Liebman, and S.E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

1-Octadecene + Hydrogen = Octadecane

By formula: C18H36 + H2 = C18H38

Quantity Value Units Method Reference Comment
Deltar-125.9 ± 1.7kJ/molChydRogers and Skanupong, 1974liquid phase; solvent: Hexane

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spec Data Center, S.E. Stein, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spec Data Center, S.E. Stein, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 12337

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of combustion and formation of the paraffin hydrocarbons at 25° C, J. Res. NBS, 1945, 263-267. [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]

Parks, West, et al., 1946
Parks, G.S.; West, T.J.; Naylor, B.F.; Fujii, P.S.; McClaine, L.A., Thermal data on organic compounds. XXIII. Modern combustion data for fourteen hydrocarbons and five polyhydroxy alcohols, J. Am. Chem. Soc., 1946, 68, 2524-2527. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Messerly, Guthrie, et al., 1967
Messerly, J.F.; Guthrie, G.B.; Todd, S.S.; Finke, H.L., Low-temperature thermal data for n-pentane, n-heptadecane, and n-octadecane, J. Chem. Eng. Data, 1967, 12, 338-346. [all data]

Hoehne, 1981
Hoehne, G.W.H., Transitions of n-alkanes above the melting point, Polym. Bull. (Berlin), 1981, 6, 41-46. [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]

Matsui and Arakawa, 1932
Matsui, M.; Arakawa, S., Mem. Coll. Sci., Univ. Kyoto, Ser. A, 1932, 15, 189. [all data]

Von Braun and Sobecki, 1911
Von Braun, J.; Sobecki, W., Chem. Ber., 1911, 44, 1470. [all data]

Sorabji, 1885
Sorabji, K.B.B., J. Chem. Soc., 1885, 47, 37-41. [all data]

Messerly, Guthrie, et al., 1967, 2
Messerly, J.F.; Guthrie, G.B.; Todd, S.S.; Finke, H.L., Low-Temperature Thermal Data for n-Pentane, n-Heptadecane and n-Octadecane. Revised Thermodynamic Functions for ther n-Alkanes, C5 - C18, J. Chem. Eng. Data, 1967, 12, 338-46. [all data]

Parks, Moore, et al., 1949, 2
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, 10, 3386, https://doi.org/10.1021/ja01178a034 . [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]

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]

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]

Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J., Correlation of the Critical Properties of Alkanes and Alkanols in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [all data]

Ambrose, 1963
Ambrose, D., Critical Temperatures of Some Phenols and Other Organic Compounds, Trans. Faraday Soc., 1963, 59, 1988. [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]

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]

Macknick and Prausnitz, 1979
Macknick, A. Brian; Prausnitz, John M., Vapor pressures of high-molecular-weight hydrocarbons, J. Chem. Eng. Data, 1979, 24, 3, 175-178, https://doi.org/10.1021/je60082a012 . [all data]

Allemand, Jose, et al., 1986
Allemand, Nadine; Jose, Jacques; Merlin, J.C., Mesure des pressions de vapeur d'hydrocarbures C10 A C18n-alcanes etn-alkylbenzenes dans le domaine 3-1000 pascal, Thermochimica Acta, 1986, 105, 79-90, https://doi.org/10.1016/0040-6031(86)85225-X . [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]

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]

Krafft, 1882
Krafft, F., Ueber neunzehn höhere Normalparaffine Cn H2n + 2 und ein einfaches Volumgesetz für den tropfbar flüssigen Zustand. I, Ber. Dtsch. Chem. Ges., 1882, 15, 2, 1687-1711, https://doi.org/10.1002/cber.18820150258 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Bradley and Shellard, 1949
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]

Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [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]

Kolesnikov and Syunyaev, 1985
Kolesnikov, S.I.; Syunyaev, Z.I., Phase transitions in the melting and crystallization of n-C18H38 and n-C20H42, Zhur. Prikl. Khim. (Leningrad), 1985, 58(10), 2267-2271. [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]

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]

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]

Rogers and Skanupong, 1974
Rogers, D.W.; Skanupong, S., Heats of hydrogenation of sixteen terminal monoolefins. The alternating effect, J. Phys. Chem., 1974, 78, 2569-2572. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References