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Pentadecane

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-84.81 ± 0.48kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
gas176.61cal/mol*KN/AStull D.R., 1969This value is based on the low-temperature results [ Finke H.L., 1954] for S(liquid).; GT

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 - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-102.49 ± 0.48kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Deltacliquid-2401.37 ± 0.43kcal/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -102.44 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid140.42cal/mol*KN/AFinke, Gross, et al., 1954DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
112.45298.15Trejo, Costas, et al., 1991DH
112.05298.15Costas, Huu, et al., 1988DH
111.81298.15Grolier, Inglese, et al., 1981DH
112.32298.15Finke, Gross, et al., 1954T = 12 to 310 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 - 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
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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil540. ± 20.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus283.0 ± 0.1KAVGN/AAverage of 19 out of 24 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple283.10KN/AMesserly, Guthrie, et al., 1967Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple283.10KN/AFinke, Gross, et al., 1954, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple283.100KN/AWaddington, 1950Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple283.090KN/AWaddington, 1950Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc708. ± 2.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Pc15. ± 2.atmN/AAmbrose and Tsonopoulos, 1995 
Pc14.60atmN/ARosenthal and Teja, 1989Uncertainty assigned by TRC = 0.0002 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.966l/molN/AAmbrose and Tsonopoulos, 1995 
Quantity Value Units Method Reference Comment
rhoc1.0 ± 0.2mol/lN/AAmbrose and Tsonopoulos, 1995 
rhoc1.04mol/lN/AAnselme, Gude, et al., 1990Uncertainty assigned by TRC = 0.003 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap18.2 ± 0.2kcal/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Deltasub25.76kcal/molBMorawetz, 1972AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
409.20.013Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
17.4334.CViton, Chavret, et al., 1996AC
17.2344.CViton, Chavret, et al., 1996AC
16.1381.AStephenson and Malanowski, 1987Based on data from 366. - 409. K.; AC
14.2462.AStephenson and Malanowski, 1987Based on data from 447. - 546. K. See also Camin and Rossini, 1955.; AC
15.9350.GSAllemand, Jose, et al., 1986Based on data from 333. - 409. K.; AC
16.9353.CSunner and Svensson, 1979AC
16.4373.CSunner and Svensson, 1979AC
17.3 ± 0.29333.CSunner and Svensson, 1979AC
14.8447.MEUbbelohde, 1938Based on data from 430. - 464. K.; AC

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) beta Tc (K) Reference Comment
298. - 373.25.530.3496707.Majer 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
442.84 - 543.74.143641789.658-111.859Camin and Rossini, 1955

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
8.17282.7DSCMondieig, Rajabalee, et al., 2004AC
8.27283.1N/ADomalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
8.090270.9Domalski and Hearing, 1996CAL
29.199283.1

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.191270.9crystaline, IIcrystaline, IFinke, Gross, et al., 1954DH
8.2679283.11crystaline, IliquidFinke, Gross, et al., 1954DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
8.088270.9crystaline, IIcrystaline, IFinke, Gross, et al., 1954DH
29.204283.11crystaline, IliquidFinke, Gross, et al., 1954DH

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

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen 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 + pentadecene = Pentadecane

By formula: H2 + C15H30 = C15H32

Quantity Value Units Method Reference Comment
Deltar-29.72 ± 0.23kcal/molChydRogers and Skanupong, 1974liquid phase; solvent: Hexane

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.0021 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.

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 Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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, Henry's Law data, IR Spectrum, Gas Chromatography, NIST Free Links, 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 Spectrometry Data Center, William E. Wallace, 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.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-5200
NIST MS number 232906

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.


Gas Chromatography

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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 Spectrometry Data Center, William E. Wallace, director

Lee's RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS252.61Chen, Keeran, et al., 200230. m/0.25 mm/0.5 «mu»m, 40. C @ 1. min, 10. K/min; Tend: 310. C
CapillaryDB-5MS256.12Chen, Keeran, et al., 200230. m/0.25 mm/0.5 «mu»m, 40. C @ 1. min, 4. K/min; Tend: 310. C
CapillaryDB-1264.6Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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]

Stull D.R., 1969
Stull D.R., Jr., The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]

Finke H.L., 1954
Finke H.L., Low-temperature thermal data for the nine normal paraffin hydrocarbons from octane to hexadecane, J. Am. Chem. Soc., 1954, 76, 333-341. [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]

Trejo, Costas, et al., 1991
Trejo, L.M.; Costas, M.; Patterson, D., Excess heat capacity of organic mixtures, Internat. DATA Series, Selected Data Mixt., 1991, Ser. [all data]

Costas, Huu, et al., 1988
Costas, M.; Huu, V.T.; Patterson, D.; Caceres-Alonso, M.; Tardajos, G.; Aicart, E., Liquid structure and second-order mixing functions for l-chloronaphthalene with linear and branched alkanes, J. Chem. Soc., Faraday Trans., 1988, 1 84(5), 1603-1616. [all data]

Grolier, Inglese, et al., 1981
Grolier, J.P.E.; Inglese, A.; Roux, A.H.; Wilhelm, E., Thermodynamics of (1-chloronaphthalene + n-alkane): excess enthalpies, excess volumes and excess heat capacities, Ber. Bunsenges. Phys. Chem., 1981, 85, 768-772. [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. Revised Thermodynamic Functions for ther n-Alkanes, C5 - C18, J. Chem. Eng. Data, 1967, 12, 338-46. [all data]

Finke, Gross, et al., 1954, 2
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, 333-41. [all data]

Waddington, 1950
Waddington, G., Personal Commun., U. S. Bur. Mines, Bartlesville, OK, March 2, 1950. [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]

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]

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]

Viton, Chavret, et al., 1996
Viton, C.; Chavret, M.; Jose, J., Enthalpies of vaporization of normal alkanes from nonane to pentadecane at temperatures from 298 to 359 K, ELDATA: Int. Electron. J. Phys. Chem. Data, 1996, 2, 3, 103. [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 and Rossini, 1955
Camin, David L.; Rossini, Frederick D., Physical Properties of Fourteen API Research Hydrocarbons, C 9 to C 15, J. Phys. Chem., 1955, 59, 11, 1173-1179, https://doi.org/10.1021/j150533a014 . [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]

Sunner and Svensson, 1979
Sunner, Stig; Svensson, Christer, Twin calorimeter for the determination of enthalpies of vaporization of small samples from 300 to 420 K, J. Chem. Soc., Faraday Trans. 1, 1979, 75, 0, 2359, https://doi.org/10.1039/f19797502359 . [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]

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]

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]

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]

Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W., Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]

Johnson, Urso, et al., 1997
Johnson, C.I.; Urso, A.; Geleta, L., Broad spectrum analysis of municipal and industrial effluents discharged into the Peace, Athabasca and Slave river basins: characterization of effluent samples, 1994 - Volume 1 of 2, Northern River Basins Study Project Report No. 121, Norther River Basins Study, Edmonton, Alberta, 1997, 27. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References