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1-Hexadecanol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
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-516.8kJ/molN/AMosselman and Dekker, 1975Value computed using «DELTA»fHsolid° value of -686.4±0.4 kj/mol from Mosselman and Dekker, 1975 and «DELTA»subH° value of 169.6 kj/mol from Gundry, Harrop, et al., 1969.; DRB
Deltafgas-517.5 ± 3.2kJ/molCcbGundry, Harrop, et al., 1969ALS
Deltafgas-513.7kJ/molN/AParks, Mosley, et al., 1950Value computed using «DELTA»fHsolid° value of -683.3±3.8 kj/mol from Parks, Mosley, et al., 1950 and «DELTA»subH° value of 169.6 kj/mol from Gundry, Harrop, et al., 1969.; DRB
Quantity Value Units Method Reference Comment
gas853. ± 17.J/mol*KN/AWilhoit R.C., 1973Other third-law entropy value at 298.15 K is 803(11) J/mol*K [ Green J.H.S., 1961]. Values calculated by a method of increments [ Green J.H.S., 1961, Thermodynamics Research Center, 1997] are equal to 831 and 832.5 J/mol*K, respectively.; 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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid-686.4 ± 0.4kJ/molCcbMosselman and Dekker, 1975ALS
Deltafsolid-687.1 ± 2.0kJ/molCcbGundry, Harrop, et al., 1969ALS
Deltafsolid-683.3 ± 3.8kJ/molCcbParks, Mosley, et al., 1950Reanalyzed by Cox and Pilcher, 1970, Original value = -684.29 kJ/mol; see Richardson and Parks, 1939; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-10510. ± 8.kJ/molCcbFreeman and Bagby, 1989Corresponding «DELTA»fsolid = -644. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-10468.9 ± 0.7kJ/molCcbMosselman and Dekker, 1975Corresponding «DELTA»fsolid = -686.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-10486.3 ± 1.7kJ/molCcbGundry, Harrop, et al., 1969Corresponding «DELTA»fsolid = -669.01 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-10471.9 ± 3.8kJ/molCcbParks, Mosley, et al., 1950Reanalyzed by Cox and Pilcher, 1970, Original value = -10471.2 kJ/mol; see Richardson and Parks, 1939; Corresponding «DELTA»fsolid = -683.33 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar451.9J/mol*KN/AParks, Kennedy, et al., 1956Extrapolation below 80 K, 115.3 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
618.2333.15Khasanshin and Zykova, 1989T = 333 to 583 K.; DH
524.323.Mosselman, Mourik, et al., 1974T = 323 to 346 K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
422.298.15Mosselman, Mourik, et al., 1974T = 293 to 311 K.; DH
441.24290.Parks, Kennedy, et al., 1956T = 80 to 290 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil613.15KN/ASenderens, 1925Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Tfus322. ± 3.KAVGN/AAverage of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple321. ± 3.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap107.7 ± 1.2kJ/molCGCNichols, Kweskin, et al., 2006AC
Deltavap108.8kJ/molGSKulikov, Verevkin, et al., 2001Based on data from 328. - 362. K.; AC
Deltavap112.5kJ/molCGCOva, Koultek, et al., 2000AC
Quantity Value Units Method Reference Comment
Deltasub169.5 ± 2.5kJ/molCGundry, Harrop, et al., 1969ALS
Deltasub169.6kJ/molN/AGundry, Harrop, et al., 1969DRB
Deltasub167. ± 2.kJ/molVDavies and Kybett, 1965ALS
Deltasub169.5 ± 2.1kJ/molN/ADavies and Kybett, 1965AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
453.20.013Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
100.4347.GSKulikov, Verevkin, et al., 2001Based on data from 328. - 362. K.; AC
88.2403.N/AN'Guimbi, Kasehgari, et al., 1992Based on data from 343. - 463. K.; AC
68.9524.AStephenson and Malanowski, 1987Based on data from 509. - 569. K.; AC
83.2430.AStephenson and Malanowski, 1987Based on data from 415. - 487. K. See also Ambrose, Ellender, et al., 1974.; AC
109.4329.N/AStephenson and Malanowski, 1987Based on data from 323. - 335. K.; AC
112.3338.N/AWilhoit and Zwolinski, 1973Based on data from 323. - 376. K.; AC
78.8423.N/AWilhoit and Zwolinski, 1973Based on data from 418. - 463. K.; AC
77.3460.DTAKemme and Kreps, 1969Based on data from 445. - 598. K.; AC
109.5329.MEDavies and Kybett, 1965Based on data from 323. - 335. 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
415.44 - 487.324.057521803.451-152.831Ambrose, Ellender, et al., 1974Coefficents calculated by NIST from author's data.
498.46 - 569.14.115281845.188-148.524Ambrose and Sprake, 1970Coefficents calculated by NIST from author's data.
445.3 - 598.34.166731880.126-146.027Kemme and Kreps, 1969 

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
167.4 ± 2.1314.MEDavies and Kybett, 1965Based on data from 308. - 320. K. See also Stephenson and Malanowski, 1987.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
57.7322.2ACXing, Tan, et al., 2008Based on data from 80. - 370. K.; AC
33.1321.6DSCVentol«65533», Calvet, et al., 2004AC
33.97322.9N/AKuchhal, Shukla, et al., 1979AC
34.727320.N/AEykman, 1889DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
108.5320.Eykman, 1889DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
12.500308.9crystaline, IIIcrystaline, IIPetropavlov, Tsygankova, et al., 1988DH
5.200310.4crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH
33.600322.3crystaline, «alpha»liquidMosselman, Mourik, et al., 1974DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
40.4308.9crystaline, IIIcrystaline, IIPetropavlov, Tsygankova, et al., 1988DH
16.8310.4crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH
104.3322.3crystaline, «alpha»liquidMosselman, Mourik, et al., 1974DH

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: 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

1-Hexadecanol + Chloridosulfuric acid = C16H34O4S + Hydrogen chloride

By formula: C16H34O + ClHO3S = C16H34O4S + HCl

Quantity Value Units Method Reference Comment
Deltar57. ± 3.kJ/molCmMarkitanova, Barsukov, et al., 1981liquid phase; solvent: Dichloromethane; Sulfation

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 Spectrometry Data Center, William E. Wallace, 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 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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 114116

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.

Mosselman and Dekker, 1975
Mosselman, C.; Dekker, H., Enthalpies of formation of n-alkan-1-ols, J. Chem. Soc. Faraday Trans. 1, 1975, 417-424. [all data]

Gundry, Harrop, et al., 1969
Gundry, H.A.; Harrop, D.; Head, A.J.; Lewis, G.B., Thermodynamic properties of organic oxygen compounds. 21. Enthalpies of combustion of benzoic acid, pentan-1-ol, octan-1-ol, and hexadecan-1-ol, J. Chem. Thermodyn., 1969, 1, 321-332. [all data]

Parks, Mosley, et al., 1950
Parks, G.S.; Mosley, J.R.; Peterson, P.V., Jr., Heats of combustion and formation of some organic compounds containing oxygen, J. Chem. Phys., 1950, 18, 152. [all data]

Wilhoit R.C., 1973
Wilhoit R.C., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data, 1973, 2, Suppl. 1, 1-420. [all data]

Green J.H.S., 1961
Green J.H.S., Thermodynamic properties of the normal alcohols C1-C12, J. Appl. Chem., 1961, 11, 397-404. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [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]

Richardson and Parks, 1939
Richardson, J.W.; Parks, G.S., Thermal data on organic compounds. XIX. Modern combustion data for some non-volatile compounds containing carbon, hydrogen and oxygen, J. Am. Chem. Soc., 1939, 61, 3543-3546. [all data]

Freeman and Bagby, 1989
Freeman, B.; Bagby, M.O., Heats of combustion of fatty esters and triglycerides, J. Am. Oil Chem. Soc., 1989, 66, 1601-1605. [all data]

Parks, Kennedy, et al., 1956
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L., Thermal data on organic compounds. XXVI. Some heat capacity, entropy and free energy data for seven compounds containing oxygen., Not In System, 1956, 78, 56-59. [all data]

Khasanshin and Zykova, 1989
Khasanshin, T.S.; Zykova, T.B., Specific heat of saturated monatomic alcohols, Inzh. -Fiz. Zhur., 1989, 56(6), 991-994. [all data]

Mosselman, Mourik, et al., 1974
Mosselman, C.; Mourik, J.; Dekker, H., Enthalpies of phase change and heat capacities of some long-chain alcohols. Adiabatic semi-microcalorimeter for studies of polymorphism, J. Chem. Thermodynam., 1974, 6, 477-487. [all data]

Senderens, 1925
Senderens, J.B., C. R. Hebd. Seances Acad. Sci., 1925, 181, 698. [all data]

Nichols, Kweskin, et al., 2006
Nichols, Gary; Kweskin, Sasha; Frericks, Margaret; Reiter, Sarah; Wang, Gin; Orf, Jennifer; Carvallo, Brett; Hillesheim, Dorothea; Chickos, James, Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T = 298.15 K by Correlation Gas Chromatography, J. Chem. Eng. Data, 2006, 51, 2, 475-482, https://doi.org/10.1021/je0503857 . [all data]

Kulikov, Verevkin, et al., 2001
Kulikov, Dmitry; Verevkin, Sergey P.; Heintz, Andreas, Enthalpies of vaporization of a series of aliphatic alcohols, Fluid Phase Equilibria, 2001, 192, 1-2, 187-207, https://doi.org/10.1016/S0378-3812(01)00633-1 . [all data]

Ova, Koultek, et al., 2000
Ova, P.V.; Koultek, B.; Hoskovec, M., Practice Oriented Results on Use and Production of Neem Ingredients and Pheromones VI, H. Kleeberg and C.P.W. Zebitz, ed(s)., Druck and Graphic, Giessen, 2000, 211-218. [all data]

Davies and Kybett, 1965
Davies, M.; Kybett, B., Sublimation and vaporization heats of long-chain alcohols, Trans. Faraday Soc., 1965, 61, 1608. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

N'Guimbi, Kasehgari, et al., 1992
N'Guimbi, J.; Kasehgari, H.; Mokbel, I.; Jose, J., Tensions de vapeur d'alcools primaires dans le domaine 0,3 Pa à 1,5 kPa, Thermochimica Acta, 1992, 196, 2, 367-377, https://doi.org/10.1016/0040-6031(92)80100-B . [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]

Ambrose, Ellender, et al., 1974
Ambrose, D.; Ellender, J.H.; Sprake, C.H.S., Thermodynamic properties of organic oxygen compounds XXXV. Vapour pressures of aliphatic alcohols, The Journal of Chemical Thermodynamics, 1974, 6, 9, 909-914, https://doi.org/10.1016/0021-9614(74)90235-3 . [all data]

Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]

Kemme and Kreps, 1969
Kemme, Herbert R.; Kreps, Saul I., Vapor pressure of primary n-alkyl chlorides and alcohols, J. Chem. Eng. Data, 1969, 14, 1, 98-102, https://doi.org/10.1021/je60040a011 . [all data]

Ambrose and Sprake, 1970
Ambrose, D.; Sprake, C.H.S., Thermodynamic properties of organic oxygen compounds XXV. Vapour pressures and normal boiling temperatures of aliphatic alcohols, The Journal of Chemical Thermodynamics, 1970, 2, 5, 631-645, https://doi.org/10.1016/0021-9614(70)90038-8 . [all data]

Xing, Tan, et al., 2008
Xing, J.; Tan, Z.-C.; Shi, Q.; Tong, B.; Wang, S.-X.; Li, Y.-S., Heat capacity and thermodynamic properties of 1-hexadecanol, J Therm Anal Calorim, 2008, 92, 2, 375-380, https://doi.org/10.1007/s10973-007-8955-1 . [all data]

Ventol«65533», Calvet, et al., 2004
Ventol«65533», L.; Calvet, T.; Cuevas-Diarte, M.A.; Ram«65533»rez, M.; Oonk, H.A.J.; Mondieig, D.; Negrier, Ph., Melting behaviour in the n-alkanol family. Enthalpy?entropy compensation, Phys. Chem. Chem. Phys., 2004, 6, 8, 1786, https://doi.org/10.1039/b313106h . [all data]

Kuchhal, Shukla, et al., 1979
Kuchhal, Y.K.; Shukla, R.N.; Biswas, A.B., Differential thermal analysis of n-long chain alcohols and corresponding alkoxy ethanols, Thermochimica Acta, 1979, 31, 1, 61-70, https://doi.org/10.1016/0040-6031(79)80008-8 . [all data]

Eykman, 1889
Eykman, J.F., Zur kryoskopischen Molekulargewichtsbestimmung, Z. Physik. Chem., 1889, 4, 497-519. [all data]

Petropavlov, Tsygankova, et al., 1988
Petropavlov, N.N.; Tsygankova, I.G.; Teslenko, L.A., Microcalorimetric investigation of polymorphic transitions in organic crystals, Sov. Phys. Crystallogr., 1988, 33(6), 853-855. [all data]

Markitanova, Barsukov, et al., 1981
Markitanova, L.I.; Barsukov, I.I.; Passet, B.V., Determination of heat of sulfation by calorimetric titration, J. Gen. Chem. USSR, 1981, 51, 1286-1289. [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