Dodecane
- Formula: C12H26
- Molecular weight: 170.3348
- IUPAC Standard InChIKey: SNRUBQQJIBEYMU-UHFFFAOYSA-N
- CAS Registry Number: 112-40-3
- 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-Dodecane; Adakane 12; Ba 51-090453; CH3(CH2)10CH3; Bihexyl; Dihexyl; Duodecane; NSC 8714
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -69.52 ± 0.34 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
ΔfH°gas | -68.85 ± 0.78 | kcal/mol | Ccb | Prosen and Rossini, 1945, 2 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 148.78 | cal/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
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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 |
---|---|---|---|---|---|
ΔfH°liquid | -84.16 ± 0.34 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
ΔfH°liquid | -83.49 ± 0.77 | kcal/mol | Ccb | Prosen and Rossini, 1945, 2 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1888.56 | kcal/mol | Ccb | Gollis, Belenyessy, et al., 1962 | Corresponding ΔfHºliquid = -128.15 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1932.59 ± 0.29 | kcal/mol | Ccb | Prosen and Rossini, 1945 | Corresponding ΔfHºliquid = -84.12 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1931.9 | kcal/mol | Ccb | Jessup, 1937 | Corresponding ΔfHºliquid = -84.78 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1933.7 ± 1.9 | kcal/mol | Ccb | Banse and Parks, 1933 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1930.77 kcal/mol; Corresponding ΔfHºliquid = -83.01 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 117.27 | cal/mol*K | N/A | Finke, Gross, et al., 1954 | DH |
S°liquid | 118.8 | cal/mol*K | N/A | Huffman, Parks, et al., 1931 | Extrapolation below 90 K, 105.1 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
89.866 | 298.15 | Trejo, Costas, et al., 1991 | DH |
88.939 | 298.15 | Lainez, Rodrigo, et al., 1989 | DH |
89.976 | 298.15 | Andreoli-Ball, Patterson, et al., 1988 | DH |
89.888 | 298.15 | Costas, Huu, et al., 1988 | DH |
89.866 | 298.15 | Perez-Casas, Aicart, et al., 1988 | DH |
89.716 | 298.15 | Benson and D'Arcy, 1986 | DH |
89.866 | 298.15 | Tardajos, Aicart, et al., 1986 | DH |
89.221 | 298.15 | Wilhelm, Lainez, et al., 1986 | DH |
90.084 | 298.15 | Costas and Patterson, 1985 | T = 283.15, 298.15, 313.15 K.; DH |
89.221 | 298.15 | Lainez, Rodrigo, et al., 1985 | DH |
89.689 | 298.15 | Grolier and Benson, 1984 | DH |
89.699 | 298.15 | Kumaran, Benson, et al., 1984 | DH |
89.610 | 298.15 | Roux, Grolier, et al., 1984 | DH |
89.51 | 298. | Zaripov, 1982 | T = 298, 323, 363 K.; DH |
89.584 | 298.15 | Grolier, Inglese, et al., 1981 | DH |
88.604 | 298.15 | Kalinowska and Woycicka, 1973 | DH |
89.849 | 298.15 | Finke, Gross, et al., 1954 | T = 12 to 320 K.; DH |
88.70 | 297.7 | Huffman, Parks, et al., 1931 | T = 93 to 298 K. Value is unsmoothed experimental datum.; 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
By formula: C12H24 + H2 = C12H26
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -29.98 ± 0.35 | kcal/mol | Chyd | Rogers and Skanupong, 1974 | liquid phase; solvent: Hexane |
ΔrH° | 30.05 ± 0.50 | kcal/mol | Chyd | Bretschneider and Rogers, 1970 | liquid phase; solvent: glacial acetic acid |
By formula: C12H26 = C12H26
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.04 | kcal/mol | Ccb | Melaugh, Mansson, et al., 1976 | liquid phase; Unpublished results of Zwolinski and Desai |
ΔrH° | -2.91 ± 0.33 | kcal/mol | Ccb | Melaugh, Mansson, et al., 1976 | liquid phase |
By formula: 4H2 + C12H18 = C12H26
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -131.2 ± 0.5 | kcal/mol | Chyd | Flitcroft, Skinner, et al., 1957 | liquid phase |
By formula: C12H18 + 4H2 = C12H26
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -127.3 ± 0.7 | kcal/mol | Chyd | Flitcroft, Skinner, et al., 1957 | liquid phase |
+
= C12H26O3S +
By formula: C12H26 + H2O4S = C12H26O3S + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.3 ± 4.0 | kcal/mol | Cm | Roth and Rist-Schumacher, 1944 | liquid phase |
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) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
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)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.00014 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.00014 | L | N/A |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, 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]
Prosen and Rossini, 1945, 2
Prosen, E.J.; Rossini, F.D.,
Heats of formation and combustion of 1,3-butadiene and styrene,
J. Res. NBS, 1945, 34, 59-63. [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]
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]
Gollis, Belenyessy, et al., 1962
Gollis, M.H.; Belenyessy, L.I.; Gudzinowicz, B.J.; Koch, S.D.; Smith, J.O.; Wineman, R.J.,
Evaluation of pure hydrocarbons as jet fuels,
J. Chem. Eng. Data, 1962, 7, 331-316. [all data]
Jessup, 1937
Jessup, R.S.,
Heats of combustion of the liquid normal paraffin hydrocarbons from hexane to dodecane,
J. Res. NBS, 1937, 18, 114-128. [all data]
Banse and Parks, 1933
Banse, H.; Parks, G.S.,
Thermal data on organic compounds. XII. The heats of combustion of nine hydrocarbons,
J. Am. Chem. Soc., 1933, 55, 3223-3227. [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]
Huffman, Parks, et al., 1931
Huffman, H.M.; Parks, G.S.; Barmore, M.,
Thermal data on organic compounds. X. Further studies on the heat capacities, entropies and free energies of hydrocarbons,
J. Am. Chem. Soc., 1931, 53, 3876-3888. [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]
Benson and D'Arcy, 1986
Benson, G.C.; D'Arcy, P.J.,
Heat capacities of binary mixtures of n-dodecane with hexane isomers,
Thermochim. Acta, 1986, 102, 75-81. [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]
Costas and Patterson, 1985
Costas, M.; Patterson, D.,
Self-association of alcohols in inert solvents, J. Chem. Soc.,
Faraday Trans. 1, 1985, 81, 635-654. [all data]
Lainez, Rodrigo, et al., 1985
Lainez, A.; Rodrigo, M.; Roux, A.H.; Grolier, J.-P.E.; Wilhelm, E.,
Relations between structure and thermodynamic properties. Heat capacities of polar substances (nitrobenzene and benzonitrile) in alkane solutions,
Calorim. Anal. Therm., 1985, 16, 153-158. [all data]
Grolier and Benson, 1984
Grolier, J.-P.E.; Benson, G.C.,
Thermodynamic properties of binary mixtures containing ketones. VIII. Heat capacities and volumes of some n-alkanone + n-alkane mixtures at 298.15 K,
Can. J. Chem., 1984, 62, 949-953. [all data]
Kumaran, Benson, et al., 1984
Kumaran, M.K.; Benson, G.C.; D'Arcy, P.J.; Halpin, C.J.,
Speed of sound, molar volume, and molar isobaric heat capacity for binary liquid mixtures: analysis in terms of van der Waal's one-fluid theory,
J. Chem. Thermodynam., 1984, 16, 1181-1189. [all data]
Roux, Grolier, et al., 1984
Roux, A.H.; Grolier, J.-P.E.; Inglese, A.; Wilhelm, E.,
Excess molar enthalpies, excess molar heat capacities and excess molar volumes of (fluorobenzene + an n-alkane),
Ber. Bunsenges. Phys. Chem., 1984, 88, 986-992. [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]
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]
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]
Bretschneider and Rogers, 1970
Bretschneider, E.; Rogers, D.W.,
A new microcalorimeter: heats of hydrogenation of four monoolefins,
Mikrochim. Acta, 1970, 482-490. [all data]
Melaugh, Mansson, et al., 1976
Melaugh, R.A.; Mansson, M.; Rossini, F.D.,
The energy of isomerization of n-dodecane into 2,2,4,6,6-pentamethylheptane,
J. Chem. Thermodyn., 1976, 8, 623-626. [all data]
Flitcroft, Skinner, et al., 1957
Flitcroft, T.; Skinner, H.A.; Whiting, M.C.,
Heats of hydrogenation Part 1.-Dodeca-3:9 and -5:7 Diynes,
Trans. Faraday Soc., 1957, 53, 784-790. [all data]
Roth and Rist-Schumacher, 1944
Roth, W.A.; Rist-Schumacher, E.,
Beitrag zur thermochemie der sulfonsauren und saurechlorid,
Z. Electrochem., 1944, 50, 7-9. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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 d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K 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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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