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Heptadecane

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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-393.9 ± 2.4kJ/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-479.5 ± 2.4kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Deltacliquid-11351.2 ± 2.2kJ/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -483.42 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid652.24J/mol*KN/AMesserly, Guthrie, et al., 1967DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
534.34298.15Messerly, 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
CAL - J.S. Chickos, W.E. Acree, Jr., J.F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - E.S. Domalski and E.D. Hearing

Quantity Value Units Method Reference Comment
Tboil575.0KN/AWeast and Grasselli, 1989BS
Tboil574.25KN/AIvanov, Ivanov, et al., 1954Uncertainty assigned by TRC = 0.7 K; TRC
Tboil563.15KN/AMatsui and Arakawa, 1932Uncertainty assigned by TRC = 2. K; TRC
Tboil561.65KN/AMabery, 1902Uncertainty assigned by TRC = 1.5 K; TRC
Tboil561.65KN/AMabery, 1900Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus295.1 ± 0.9KAVGN/AAverage of 28 out of 29 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple295.14KN/AMesserly, Guthrie, et al., 1967, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.04 K; TRC
Quantity Value Units Method Reference Comment
Tc734. ± 7.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Pc13. ± 2.barN/AAmbrose and Tsonopoulos, 1995 
Pc13.20barN/ANikitin, Pavlov, et al., 1994Uncertainty assigned by TRC = 0.40 bar; TRC
Pc13.42barN/ARosenthal and Teja, 1989Uncertainty assigned by TRC = 1.60 bar; TRC
Quantity Value Units Method Reference Comment
Vc1.103l/molN/AAmbrose and Tsonopoulos, 1995 
Quantity Value Units Method Reference Comment
rhoc0.9 ± 0.2mol/lN/AAmbrose and Tsonopoulos, 1995 
rhoc0.907mol/lN/AAnselme, Gude, et al., 1990Uncertainty assigned by TRC = 0.02 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap86.02kJ/molN/AMajer and Svoboda, 1985 
Deltavap86.5kJ/molN/ARuzicka and Majer, 1994AC
Deltavap86.0 ± 0.8kJ/molCMorawetz, 1972AC
Deltavap86.2kJ/molN/AReid, 1972AC
Quantity Value Units Method Reference Comment
Deltasub125.1kJ/molN/AMorawetz, 1972, 2AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
434.90.013Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
91.1304.AStephenson and Malanowski, 1987Based on data from 289. - 320. K.; AC
62.9503.AStephenson and Malanowski, 1987Based on data from 488. - 577. K.; AC
71.6457.MEUbbelohde, 1938Based on data from 445. - 470. K.; 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
436.7 - 576.3.92731718.004-138.126Krafft, 1882Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
131.5 ± 4.6288.VBradley and Shellard, 1949hfusion=11.4±1.8 kcal/mol; ALS
131. ± 13.290.MEBradley and Shellard, 1949Based on data from 288. - 293. K. See also Jones, 1960.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
39.4294.7DSCMondieig, Rajabalee, et al., 2004AC
40.17295.1N/ADomalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
38.56284.3Domalski and Hearing, 1996CAL
136.11295.1

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
283.65crystaline, IIcrystaline, ISchaerer, Busso, et al., 1955DH
294.85crystaline, IliquidSchaerer, Busso, et al., 1955DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
10.942284.27crystaline, IIcrystaline, IMesserly, Guthrie, et al., 1967DH
40.164295.14crystaline, IliquidMesserly, Guthrie, et al., 1967DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
38.50284.27crystaline, IIcrystaline, IMesserly, Guthrie, et al., 1967DH
136.08295.14crystaline, IliquidMesserly, Guthrie, et al., 1967DH

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

Hydrogen + 1-Heptadecene = Heptadecane

By formula: H2 + C17H34 = C17H36

Quantity Value Units Method Reference Comment
Deltar-124.1 ± 1.8kJ/molChydRogers and Skanupong, 1974liquid phase; solvent: Hexane

IR Spectrum

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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-2741
NIST MS number 228254

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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]

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]

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]

Ivanov, Ivanov, et al., 1954
Ivanov, D.; Ivanov, Ch.; Stoianova-Ivanova, B., Composistion of Stearoptene from Bulgarian Rose Oil. II. Saturated Hydrocarbons Other Than Eicosane, Dokl. Bolg. Akad. Nauk, 1954, 7, 17-20. [all data]

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

Mabery, 1902
Mabery, C.F., Am. Chem. J., 1902, 28, 165. [all data]

Mabery, 1900
Mabery, C.F., J. Soc. Chem. Ind., London, 1900, 19, 502. [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]

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]

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]

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]

Ruzicka and Majer, 1994
Ruzicka, Kvetoslav; Majer, Vladimir, Simultaneous Treatment of Vapor Pressures and Related Thermal Data Between the Triple and Normal Boiling Temperatures for n-Alkanes C5--C20, J. Phys. Chem. Ref. Data, 1994, 23, 1, 1, https://doi.org/10.1063/1.555942 . [all data]

Morawetz, 1972
Morawetz, Ernst, Enthalpies of vaporization for a number of aromatic compounds, The Journal of Chemical Thermodynamics, 1972, 4, 3, 455-460, https://doi.org/10.1016/0021-9614(72)90029-8 . [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Morawetz, 1972, 2
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]

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]

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]

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]

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]

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