Dodecane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, 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:
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
Δfgas-69.52 ± 0.34kcal/molCcbProsen and Rossini, 1945ALS
Δfgas-68.85 ± 0.78kcal/molCcbProsen and Rossini, 1945, 2Heat of formation derived by Cox and Pilcher, 1970; ALS
Quantity Value Units Method Reference Comment
gas148.78cal/mol*KN/AStull D.R., 1969This 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
Δfliquid-84.16 ± 0.34kcal/molCcbProsen and Rossini, 1945ALS
Δfliquid-83.49 ± 0.77kcal/molCcbProsen and Rossini, 1945, 2Heat of formation derived by Cox and Pilcher, 1970; ALS
Quantity Value Units Method Reference Comment
Δcliquid-1888.56kcal/molCcbGollis, Belenyessy, et al., 1962Corresponding Δfliquid = -128.15 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1932.59 ± 0.29kcal/molCcbProsen and Rossini, 1945Corresponding Δfliquid = -84.12 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1931.9kcal/molCcbJessup, 1937Corresponding Δfliquid = -84.78 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1933.7 ± 1.9kcal/molCcbBanse and Parks, 1933Reanalyzed by Cox and Pilcher, 1970, Original value = -1930.77 kcal/mol; Corresponding Δfliquid = -83.01 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid117.27cal/mol*KN/AFinke, Gross, et al., 1954DH
liquid118.8cal/mol*KN/AHuffman, Parks, et al., 1931Extrapolation below 90 K, 105.1 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
89.866298.15Trejo, Costas, et al., 1991DH
88.939298.15Lainez, Rodrigo, et al., 1989DH
89.976298.15Andreoli-Ball, Patterson, et al., 1988DH
89.888298.15Costas, Huu, et al., 1988DH
89.866298.15Perez-Casas, Aicart, et al., 1988DH
89.716298.15Benson and D'Arcy, 1986DH
89.866298.15Tardajos, Aicart, et al., 1986DH
89.221298.15Wilhelm, Lainez, et al., 1986DH
90.084298.15Costas and Patterson, 1985T = 283.15, 298.15, 313.15 K.; DH
89.221298.15Lainez, Rodrigo, et al., 1985DH
89.689298.15Grolier and Benson, 1984DH
89.699298.15Kumaran, Benson, et al., 1984DH
89.610298.15Roux, Grolier, et al., 1984DH
89.51298.Zaripov, 1982T = 298, 323, 363 K.; DH
89.584298.15Grolier, Inglese, et al., 1981DH
88.604298.15Kalinowska and Woycicka, 1973DH
89.849298.15Finke, Gross, et al., 1954T = 12 to 320 K.; DH
88.70297.7Huffman, Parks, et al., 1931T = 93 to 298 K. Value is unsmoothed experimental datum.; 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
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
Tboil489. ± 2.KAVGN/AAverage of 22 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus263.5 ± 0.3KAVGN/AAverage of 35 out of 45 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple263.57 ± 0.05KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tc658.2 ± 0.9KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Pc18.0 ± 1.atmN/AAmbrose and Tsonopoulos, 1995 
Pc17.86atmN/ARosenthal and Teja, 1989Uncertainty assigned by TRC = 0.20 atm; TRC
Pc18.10atmN/ATeja, Lee, et al., 1989TRC
Pc18.36atmN/APak and Kay, 1972Uncertainty assigned by TRC = 0.1360 atm; corrected for vapor pressure of Hg, and extrapolated to zero time to correct for decomposition; TRC
Pc18.00atmN/AAmbrose and Townsend, 1968Uncertainty assigned by TRC = 0.099 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.754l/molN/AAmbrose and Tsonopoulos, 1995 
Quantity Value Units Method Reference Comment
ρc1.3 ± 0.1mol/lN/AAmbrose and Tsonopoulos, 1995 
ρc1.33mol/lN/AAnselme, Gude, et al., 1990Uncertainty assigned by TRC = 0.04 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap14.6 ± 0.2kcal/molAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Δsub23.95kcal/molBMorawetz, 1972AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
14.7299.CViton, Chavret, et al., 1996AC
13.9334.CViton, Chavret, et al., 1996AC
13.7344.CViton, Chavret, et al., 1996AC
15.7278.N/ASasse, Jose, et al., 1988Based on data from 263. to 371. K.; AC
14.8293.AStephenson and Malanowski, 1987Based on data from 278. to 400. K.; AC
12.3415.A,MMStephenson and Malanowski, 1987Based on data from 400. to 492. K. See also Willingham, Taylor, et al., 1945.; AC
14.6313.GSAllemand, Jose, et al., 1986Based on data from 298. to 389. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference
399.53 to 490.494.099781625.928-92.839Williamham, Taylor, et al., 1945

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
24.31263.BBondi, 1963AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
8.8040263.59N/AFinke, Gross, et al., 1954DH
8.53263.1DSCMondieig, Rajabalee, et al., 2004AC
8.800263.6N/ADomalski and Hearing, 1996AC
8.7431263.5N/AHuffman, Parks, et al., 1931DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
33.401263.59Finke, Gross, et al., 1954DH
33.17263.5Huffman, Parks, et al., 1931DH

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:


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) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.00014 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.00014 LN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H12+10.40?EILewis and Hamill, 1970 

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics 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 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, 1998.
NIST MS number 291499

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, 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.

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]

Ambrose and Tsonopoulos, 1995
Ambrose, D.; Tsonopoulos, C., Vapor-Liquid Critical Properties of Elements and Compounds. 2. Normal Alkenes, J. Chem. Eng. Data, 1995, 40, 531-546. [all data]

Rosenthal and Teja, 1989
Rosenthal, D.J.; Teja, A.S., The Critical Properties of n-Alkanes Using a Low-Residence Time Flow Apparatus, AIChE J., 1989, 35, 1829. [all data]

Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J., Correlation of the Critical Properties of Alkanes and Alkanols in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [all data]

Pak and Kay, 1972
Pak, S.C.; Kay, W.B., Gas-Liquid Critical Temperatures of Mixtures. Benzene + n-Alkanes and Hexafluorobenzene + n-Alkanes, Ind. Eng. Chem. Fundam., 1972, 11, 255. [all data]

Ambrose and Townsend, 1968
Ambrose, D.; Townsend, R., Critical Temperatures and Pressures of Some Alkanes, Trans. Faraday Soc., 1968, 64, 2622. [all data]

Anselme, Gude, et al., 1990
Anselme, M.J.; Gude, M.; Teja, A.S., The Critical Temperatures and Densities of the n-Alkanes from Pentane to Octadecane, Fluid Phase Equilib., 1990, 57, 317-26. [all data]

Morawetz, 1972
Morawetz, Ernst, Correlation of sublimation enthalpies at 298.15 K with molecular structure for planar aromatic hydrocarbons, The Journal of Chemical Thermodynamics, 1972, 4, 3, 461-467, https://doi.org/10.1016/0021-9614(72)90030-4 . [all data]

Viton, Chavret, et al., 1996
Viton, C.; Chavret, M.; Jose, J., Enthalpies of vaporization of normal alkanes from nonane to pentadecane at temperatures from 298 to 359 K, ELDATA: Int. Electron. J. Phys. Chem. Data, 1996, 2, 3, 103. [all data]

Sasse, Jose, et al., 1988
Sasse, Karim; Jose, Jacques; Merlin, Jean-Claude, A static apparatus for measurement of low vapor pressures. Experimental results on high molecular-weight hydrocarbons, Fluid Phase Equilibria, 1988, 42, 287-304, https://doi.org/10.1016/0378-3812(88)80065-7 . [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]

Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons, J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009 . [all data]

Allemand, Jose, et al., 1986
Allemand, Nadine; Jose, Jacques; Merlin, J.C., Mesure des pressions de vapeur d'hydrocarbures C10 A C18n-alcanes etn-alkylbenzenes dans le domaine 3-1000 pascal, Thermochimica Acta, 1986, 105, 79-90, https://doi.org/10.1016/0040-6031(86)85225-X . [all data]

Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009 . [all data]

Bondi, 1963
Bondi, A., Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments., J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027 . [all data]

Mondieig, Rajabalee, et al., 2004
Mondieig, D.; Rajabalee, F.; Metivaud, V.; Oonk, H.A.J.; Cuevas-Diarte, M.A., n -Alkane Binary Molecular Alloys, Chem. Mater., 2004, 16, 5, 786-798, https://doi.org/10.1021/cm031169p . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Lewis and Hamill, 1970
Lewis, D.; Hamill, W.H., Excited states of neutral molecular fragments from appearance potentials by electron impact in a mass spectrometer, J. Chem. Phys., 1970, 52, 6348. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References