Decane, 2-methyl-

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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 by: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
gas138.22 ± 0.47cal/mol*KN/AMesserly J.F., 1971 

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 by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid108.46cal/mol*KN/AMesserly and Finke, 1971 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
81.551298.15Messerly and Finke, 1971T = 11 to 390 K.

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil462.4KN/AWeast and Grasselli, 1989BS
Tboil462.4KN/AMajer and Svoboda, 1985 
Tboil462.30KN/AAnonymous, 1950Uncertainty assigned by TRC = 0.5 K; TRC
Tboil462.3KN/ABoord, Greenlee, et al., 1950Uncertainty assigned by TRC = 0.2 K; TRC
Tboil462.27KN/ABoord, Greenlee, et al., 1950Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tfus224.28 ± 0.02KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple224.3000KN/AMesserly and Finke, 1971, 2Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple224.3100KN/AMesserly and Finke, 1971, 2Uncertainty assigned by TRC = 0.005 K; by extrapolation of 1/F to 0, corrected for impurities; TRC
Quantity Value Units Method Reference Comment
Tc629.9KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap12.98kcal/molN/AMajer and Svoboda, 1985 

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
9.620462.4N/AMajer and Svoboda, 1985 
13.3288.AStephenson and Malanowski, 1987Based on data from 273. to 353. K.; AC
11.3394.AStephenson and Malanowski, 1987Based on data from 379. to 463. K.; AC
12.4328.CMajer, Svoboda, et al., 1984AC
12.1343.CMajer, Svoboda, et al., 1984AC
11.8358.CMajer, Svoboda, et al., 1984AC
13.2283.IPOsborn and Douslin, 1974Based on data from 273. to 293. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
328. to 368.18.470.3168629.9Majer and Svoboda, 1985 

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 Comment
273. to 462.374.213901640.288-72.933Osborn and Douslin, 1974Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
5.9959224.31Messerly and Finke, 1971DH
5.989224.3Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
26.730224.31Messerly and Finke, 1971DH

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:


Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
IE (evaluated)9.7eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.34ESTLuo and Pacey, 1992LL
9.7 ± 0.1EQLias, 1982LBLHLM
9.57 ± 0.15EQMautner(Meot-Ner), Sieck, et al., 1981LLK

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Messerly J.F., 1971
Messerly J.F., Low-temperature thermal properties of 2-methylheptane and 2-methyldecane: the thermodynamic properties of 2-methylalkanes, J. Chem. Thermodyn., 1971, 3, 675-687. [all data]

Messerly and Finke, 1971
Messerly, J.F.; Finke, H.L., Low-temperature thermal properties of 2-methylheptane and 2-methyldecane: the thermodynamic properties of the 2-methylalkanes, J. Chem. Thermodynam., 1971, 3, 675-687. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Anonymous, 1950
Anonymous, R., , Am. Pet. Inst. Res. Proj. 6, Natl. Bur. Stand., 1950. [all data]

Boord, Greenlee, et al., 1950
Boord, C.E.; Greenlee, K.W.; Derfer, J.M., The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Wt., Am. Pet. Inst. Res. Proj. 45, Twelfth Annu. Rep., Ohio State Univ., 1950. [all data]

Messerly and Finke, 1971, 2
Messerly, J.F.; Finke, H.L., Low-temperature Thermal Properties of 2-Methyldecane: the Thermodynamic Properties of the 2-Methylalkanes, J. Chem. Thermodyn., 1971, 3, 675-87. [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]

Majer, Svoboda, et al., 1984
Majer, V.; Svoboda, V.; Pechacek, J.; Hala, S., Enthalpies of vaporization and cohesive energies of eight C9 to C11, J. Chem. Thermodyn., 1984, 16, 567-572. [all data]

Osborn and Douslin, 1974
Osborn, Ann G.; Douslin, Donald R., Vapor-pressure relations for 15 hydrocarbons, J. Chem. Eng. Data, 1974, 19, 2, 114-117, https://doi.org/10.1021/je60061a022 . [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]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Lias, 1982
Lias, S.G., Thermochemical information from ion-molecule rate constants, Ion Cyclotron Reson. Spectrom. 1982, 1982, 409. [all data]

Mautner(Meot-Ner), Sieck, et al., 1981
Mautner(Meot-Ner), M.; Sieck, L.W.; Ausloos, P., Ionization of normal alkanes: Enthalpy, entropy, structural, and isotope effects, J. Am. Chem. Soc., 1981, 103, 5342. [all data]


Notes

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