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1-Hexadecanol

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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:
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

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

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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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]

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]

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

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