Hexadecane
- Formula: C16H34
- Molecular weight: 226.4412
- IUPAC Standard InChIKey: DCAYPVUWAIABOU-UHFFFAOYSA-N
- CAS Registry Number: 544-76-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: n-Cetane; n-Hexadecane; Cetane
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Gas phase thermochemistry 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:
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -374.9 | kJ/mol | N/A | Fraser and Prosen, 1955 | Value computed using ΔfHliquid° value of -456.3±2 kj/mol from Fraser and Prosen, 1955 and ΔvapH° value of 81.38 kj/mol from missing citation.; DRB |
ΔfH°gas | -374.7 | kJ/mol | N/A | Richardson and Parks, 1939 | Value computed using ΔfHliquid° value of -456.1±4.1 kj/mol from Richardson and Parks, 1939 and ΔvapH° value of 81.38 kj/mol from missing citation.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 778.31 | J/mol*K | N/A | Stull D.R., 1969 | This value is based on the low-temperature results [ Finke H.L., 1954] for S(liquid).; GT |
Condensed phase thermochemistry data
Go To: Top, Gas 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:
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 |
---|---|---|---|---|---|
ΔfH°liquid | -456.3 ± 2.0 | kJ/mol | Ccb | Fraser and Prosen, 1955 | ALS |
ΔfH°liquid | -456.1 ± 4.1 | kJ/mol | Ccb | Richardson and Parks, 1939 | Reanalyzed by Cox and Pilcher, 1970, Original value = -459.32 kJ/mol; see Richardson, 1939; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -10699.1 ± 1.8 | kJ/mol | Ccb | Fraser and Prosen, 1955 | Corresponding ΔfHºliquid = -456.14 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -10699.1 ± 4.1 | kJ/mol | Ccb | Richardson and Parks, 1939 | Reanalyzed by Cox and Pilcher, 1970, Original value = -10694.8 kJ/mol; see Richardson, 1939; Corresponding ΔfHºliquid = -456.14 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 586.18 | J/mol*K | N/A | Finke, Gross, et al., 1954 | DH |
S°liquid | 626.8 | J/mol*K | N/A | Parks, Moore, et al., 1949 | Extrapolation below 80 K, 116.6 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
512.37 | 313.15 | Banipal, Garg, et al., 1991 | T = 313 to 373 K. p = 0.1 MPa.; DH |
499.72 | 298.15 | Trejo, Costas, et al., 1991 | DH |
497.16 | 298.15 | Lainez, Rodrigo, et al., 1989 | DH |
499.62 | 298.15 | Andreoli-Ball, Patterson, et al., 1988 | DH |
500.21 | 298.15 | Costas, Huu, et al., 1988 | DH |
500.21 | 298.15 | Perez-Casas, Aicart, et al., 1988 | DH |
499.62 | 298.15 | Tardajos, Aicart, et al., 1986 | DH |
495.73 | 298.15 | Wilhelm, Lainez, et al., 1986 | DH |
496.45 | 298.15 | Lainez, Roux-Desgranges, et al., 1985 | DH |
498.3 | 298. | Zaripov, 1982 | T = 298, 323, 363 K.; DH |
499.97 | 298.15 | Grolier, Inglese, et al., 1981 | DH |
501.6 | 298.15 | Diaz pena and Renuncio, 1974 | T = 300 to 324 K.; DH |
499. | 297.79 | Petit and TerMinassian, 1974 | T = 297 to 471 K. Value is unsmoothed experimental datum.; DH |
504.58 | 298.15 | Kalinowska and Woycicka, 1973 | DH |
484.9 | 311. | Gollis, Belenyessy, et al., 1962 | T = 100, 200, 300°F.; DH |
501.45 | 298.15 | Finke, Gross, et al., 1954 | T = 12 to 320 K.; DH |
504.2 | 298.15 | Parks, Moore, et al., 1949 | T = 80 to 300 K.; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fraser and Prosen, 1955
Fraser, F.M.; Prosen, E.J.,
Heats of combustion of liquid n-hexadecane, 1-hexadecene, n-decylbenzene, n-decylcyclohexane, n-decylcyclopentane, and the variation of heat of combustion with chain length,
J. Res. NBS, 1955, 55, 329-333. [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]
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]
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, 1939
Richardson, J.W.,
Precise determination of the heats of combustion of some representative organic compounds, Ph.D. Thesis for Standford University, 1939, 1-122. [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]
Parks, Moore, et al., 1949
Parks, G.S.; Moore, G.E.; Renquist, M.L.; Naylor, B.F.; McClaine, L.A.; Fujii, P.S.; Hatton, J.A.,
Thermal data on organic compounds. XXV. Some heat capacity, entropy and free energy data for nine hydrocarbons of high molecular weight,
J. Am. Chem. Soc., 1949, 71, 3386-3389. [all data]
Banipal, Garg, et al., 1991
Banipal, T.S.; Garg, S.K.; Ahluwalia, J.C.,
Heat capacities and densities of liquid n-octane, n-nonane, n-decane, and n-hexadecane at temperatures from 318.15 to 373.15 K and at pressures up to 10 MPa,
J. Chem. Thermodynam., 1991, 23, 923-931. [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]
Lainez, Rodrigo, et al., 1989
Lainez, A.; Rodrigo, M.M.; Wilhelm, E.; Grolier, J.-P.E.,
Excess volumes and excess heaat capacitiies of some mixtures with trans,trans,cis-1,5,9-cyclododecatriene at 298.15K,
J. Chem. Eng. Data, 1989, 34, 332-335. [all data]
Andreoli-Ball, Patterson, et al., 1988
Andreoli-Ball, L.; Patterson, D.; Costas, M.; Caceres-Alonso, M.,
Heat capacity and corresponding states in alkan-1-ol-n-alkane systems, J. Chem. Soc.,
Faraday Trans. 1, 1988, 84(11), 3991-4012. [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]
Perez-Casas, Aicart, et al., 1988
Perez-Casas, S.; Aicart, E.; Trojo, L.M.; Costas, M.,
Excess heat capacity. Chlorobenzene-2,2,4,4,6,8,8-heptamethylnonane, Int. Data Ser.,
Sel. Data Mixtures, 1988, (2)A, 123. [all data]
Tardajos, Aicart, et al., 1986
Tardajos, G.; Aicart, E.; Costas, M.; Patterson, D.,
Liquid structure and second-order mixing functions for benzene, toluene, and p-xylene with n-alkanes, J. Chem. Soc.,
Faraday Trans., 1986, 1 82, 2977-2987. [all data]
Wilhelm, Lainez, et al., 1986
Wilhelm, E.; Lainez, A.; Roux, A.H.; Grolier, J.-P.E.,
Excess-molar volumes and heat capacities of (1,2,4-trichlorobenzene + an n-alkane) and (1-chloronaphthalene + an n-alkane),
Thermochim. Acta, 1986, 105, 101-110. [all data]
Lainez, Roux-Desgranges, et al., 1985
Lainez, A.; Roux-Desgranges, G.; Grolier, J.-P.E.; Wilhelm, E.,
Mixtures of alkanes with polar molecules showing integral rotation: an unusual composition dependence of CpE of 1,2-dichloroethane + an n-alkane,
Fluid Phase Equilib., 1985, 20, 47-56. [all data]
Zaripov, 1982
Zaripov, Z.I.,
Experimental study of the isobaric heat capacity of liquid organic compounds with molecular weights of up to 4000 a.e.m., 1982, Teplomassoobmen Teplofiz. [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]
Diaz pena and Renuncio, 1974
Diaz pena, M.D.; Renuncio, J.A.R.,
Construccion de un calorimetro adiabatico. Capacidad calorifica de mezclas n-hexano + n-hexadecano,
An. Quim., 1974, 70, 113-120. [all data]
Petit and TerMinassian, 1974
Petit, J.C.; TerMinassian, L.,
Measurements of (dV/dT)p, (dV/dP)T, and (dH/dT)p by flux calorimetry,
J. Chem. Thermodynam., 1974, 6, 1139-1152. [all data]
Kalinowska and Woycicka, 1973
Kalinowska, B.; Woycicka, M.,
Excess heat capacities of dilute solutions of n-hexanol in n-alkanes,
Bull. Aca. Pol. Sci. (Ser. Sci. Chim.), 1973, 21(11), 845-848. [all data]
Gollis, Belenyessy, et al., 1962
Gollis, M.H.; Belenyessy, L.I.; Gudzinowicz, B.J.; Koch, S.D.; Smith, J.O.; Wineman, R.J.,
Evaluations of pure hydrocarbons as Jet Fuels,
J. Chem. Eng. Data, 1962, 7, 311-316. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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