1-Hexadecanol

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Condensed phase thermochemistry data

Go To: Top, Phase change data, 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:
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
Δfsolid-164.1 ± 0.1kcal/molCcbMosselman and Dekker, 1975ALS
Δfsolid-164.21 ± 0.48kcal/molCcbGundry, Harrop, et al., 1969ALS
Δfsolid-163.32 ± 0.91kcal/molCcbParks, Mosley, et al., 1950Reanalyzed by Cox and Pilcher, 1970, Original value = -163.55 kcal/mol; see Richardson and Parks, 1939; ALS
Quantity Value Units Method Reference Comment
Δcsolid-2512. ± 2.kcal/molCcbFreeman and Bagby, 1989Corresponding Δfsolid = -154. kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-2502.1 ± 0.2kcal/molCcbMosselman and Dekker, 1975Corresponding Δfsolid = -164.1 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-2506.28 ± 0.41kcal/molCcbGundry, Harrop, et al., 1969Corresponding Δfsolid = -159.90 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-2502.85 ± 0.90kcal/molCcbParks, Mosley, et al., 1950Reanalyzed by Cox and Pilcher, 1970, Original value = -2502.67 kcal/mol; see Richardson and Parks, 1939; Corresponding Δfsolid = -163.32 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar108.0cal/mol*KN/AParks, Kennedy, et al., 1956Extrapolation below 80 K, 115.3 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
147.8333.15Khasanshin and Zykova, 1989T = 333 to 583 K.; DH
125.323.Mosselman, Mourik, et al., 1974T = 323 to 346 K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
101.298.15Mosselman, Mourik, et al., 1974T = 293 to 311 K.; DH
105.46290.Parks, Kennedy, et al., 1956T = 80 to 290 K.; DH

Phase change data

Go To: Top, Condensed phase thermochemistry data, 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:
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
Δvap25.74 ± 0.29kcal/molCGCNichols, Kweskin, et al., 2006AC
Δvap26.00kcal/molGSKulikov, Verevkin, et al., 2001Based on data from 328. to 362. K.; AC
Δvap26.89kcal/molCGCOva, Koultek, et al., 2000AC
Quantity Value Units Method Reference Comment
Δsub40.51 ± 0.60kcal/molCGundry, Harrop, et al., 1969ALS
Δsub40.54kcal/molN/AGundry, Harrop, et al., 1969DRB
Δsub40.0 ± 0.5kcal/molVDavies and Kybett, 1965ALS
Δsub40.51 ± 0.50kcal/molN/ADavies and Kybett, 1965AC

Reduced pressure boiling point

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

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
24.00347.GSKulikov, Verevkin, et al., 2001Based on data from 328. to 362. K.; AC
21.1403.N/AN'Guimbi, Kasehgari, et al., 1992Based on data from 343. to 463. K.; AC
16.5524.AStephenson and Malanowski, 1987Based on data from 509. to 569. K.; AC
19.9430.AStephenson and Malanowski, 1987Based on data from 415. to 487. K. See also Ambrose, Ellender, et al., 1974.; AC
26.15329.N/AStephenson and Malanowski, 1987Based on data from 323. to 335. K.; AC
26.84338.N/AWilhoit and Zwolinski, 1973Based on data from 323. to 376. K.; AC
18.8423.N/AWilhoit and Zwolinski, 1973Based on data from 418. to 463. K.; AC
18.5460.DTAKemme and Kreps, 1969Based on data from 445. to 598. K.; AC
26.17329.MEDavies and Kybett, 1965Based on data from 323. to 335. K.; 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
415.44 to 487.324.051811803.451-152.831Ambrose, Ellender, et al., 1974Coefficents calculated by NIST from author's data.
498.46 to 569.14.109571845.188-148.524Ambrose and Sprake, 1970Coefficents calculated by NIST from author's data.
445.3 to 598.34.161021880.126-146.027Kemme and Kreps, 1969 

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
40.01 ± 0.50314.MEDavies and Kybett, 1965Based on data from 308. to 320. K. See also Stephenson and Malanowski, 1987.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
13.8322.2ACXing, Tan, et al., 2008Based on data from 80. to 370. K.; AC
7.91321.6DSCVentol«65533», Calvet, et al., 2004AC
8.119322.9N/AKuchhal, Shukla, et al., 1979AC
8.3000320.N/AEykman, 1889DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
25.93320.Eykman, 1889DH

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.9876308.9crystaline, IIIcrystaline, IIPetropavlov, Tsygankova, et al., 1988DH
1.243310.4crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH
8.0306322.3crystaline, αliquidMosselman, Mourik, et al., 1974DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
9.66308.9crystaline, IIIcrystaline, IIPetropavlov, Tsygankova, et al., 1988DH
4.02310.4crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH
24.93322.3crystaline, αliquidMosselman, 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:


References

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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]

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]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, References