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Pentane, 3-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 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
Deltafgas-171.6 ± 0.96kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
gas382.88 ± 0.67J/mol*KN/AFinke H.L., 1973The entropy values S(323.8 K)=397.46 and S(336.5 K)=400.66 J/mol*K were calculated by [ Scott D.W., 1974] from the experimental data [ Finke H.L., 1973].; GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
98.91200.Scott D.W., 1974, 2Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, Scott D.W., 1974, 2]. This approach gives a better agreement with experimental data than the statistical thermodynamics calculation [ Pitzer K.S., 1946] (see also [ Waddington G., 1949]).; GT
129.83273.15
140.1 ± 0.4298.15
140.88300.
181.17400.
217.48500.
248.95600.
275.73700.
298.74800.
318.82900.
335.981000.
351.041100.
364.011200.
376.561300.
384.931400.
397.481500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
154.31332.10Waddington G., 1949GT
168.41367.55
181.71402.35
194.64436.20
207.32471.15

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
Deltafliquid-202.0 ± 0.96kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4159.9 ± 0.88kJ/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -201.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid292.5J/mol*KN/AFinke and Messerly, 1973Thermodynamic properties calculated from a Debye function at 10 K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
191.16298.15Ohnishi, Fujihara, et al., 1989DH
190.99298.15`Benson and D'Arcy, 1986DH
190.86298.15Benson, D'Arcy, et al., 1984DH
190.77298.15Aicart, Kumaran, et al., 1983DH
190.77298.15Benson, D'Arcy, et al., 1983DH
187.1288.19Oguni, Watanabe, et al., 1982T = 80 to 370 K. Unsmoothed experimental datum. Heat capacity measured as a check of the calorimeter's performance.; DH
186.8298.95Czarnota, 1980DH
190.67298.15Finke and Messerly, 1973T = 10 to 330 K.; DH
187.36298.1Stull, 1937T = 90 to 320 K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
190.83298.15Douslin and Huffman, 1946T = 13 to 300 K.; DH

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, 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 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

Hydrogen + 1-Pentene, 3-methyl- = Pentane, 3-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-124.6 ± 0.54kJ/molChydRogers, Crooks, et al., 1987liquid phase
Deltar-125.8 ± 2.6kJ/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Dioxane
Deltar-128.1 ± 1.8kJ/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Hexane

n-Hexane = Pentane, 3-methyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Deltar-3.2 ± 0.79kJ/molCisoProsen and Rossini, 1941liquid phase; Calculated from «DELTA»Hc

Hydrogen + 2-Pentene, 3-methyl-, (Z)- = Pentane, 3-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-110.6 ± 0.44kJ/molChydRogers, Crooks, et al., 1987liquid phase

Hydrogen + 2-Pentene, 3-methyl-, (E)- = Pentane, 3-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-110.1 ± 0.56kJ/molChydRogers, Crooks, et al., 1987liquid phase

Hydrogen + Pentane, 3-methylene- = Pentane, 3-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-115.8 ± 0.36kJ/molChydRogers, Crooks, et al., 1987liquid phase

2Hydrogen + 1,3-Butadiene, 2-ethyl- = Pentane, 3-methyl-

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-236.kJ/molChydRoth, Adamczak, et al., 1991liquid phase

Pentane, 2-methyl- = Pentane, 3-methyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Deltar0.92 ± 0.46kJ/molEqkRoganov, Kabo, et al., 1972gas phase; At 368 K

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.

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]

Finke H.L., 1973
Finke H.L., 3-Methylpentane and 3-methylheptane: low-temperature thermodynamic properties, J. Chem. Thermodyn., 1973, 5, 247-257. [all data]

Scott D.W., 1974
Scott D.W., Correlation of the chemical thermodynamic properties of alkane hydrocarbons, J. Chem. Phys., 1974, 60, 3144-3165. [all data]

Scott D.W., 1974, 2
Scott D.W., Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]

Pitzer K.S., 1946
Pitzer K.S., The entropies and related properties of branched paraffin hydrocarbons, Chem. Rev., 1946, 39, 435-447. [all data]

Waddington G., 1949
Waddington G., Experimental vapor heat capacities and heats of vaporization of 2-methylpentane, 3-methylpentane, and 2,3-dimethylbutane, J. Am. Chem. Soc., 1949, 71, 3902-3906. [all data]

Finke and Messerly, 1973
Finke, H.L.; Messerly, J.F., 3-Methylpentane and 3-methylheptane: low-temperature thermodynamic properties, J. Chem. Thermodynam., 1973, 5, 247-257. [all data]

Ohnishi, Fujihara, et al., 1989
Ohnishi, K.; Fujihara, I.; Murakami, S., Thermodynamic properties of decalins mixed with hexane isomers at 298.15K. 1. Excess enthalpies and excess isobaric heat capacities, Fluid Phase Equilib., 1989, 46, 59-72. [all data]

Benson and D'Arcy, 1986
Benson, G.C.; D'Arcy, P.J., Heat capacities of binary mixtures of n-octane with each of the hexane isomers at 298.15 K, Can. J. Chem., 1986, 64, 2139-2141. [all data]

Benson, D'Arcy, et al., 1984
Benson, G.C.; D'Arcy, P.J.; Kumaran, M.K., Heat capacities of binary mixtures of n-heptane with hexane isomers, Thermochim. Acta, 1984, 75, 353-360. [all data]

Aicart, Kumaran, et al., 1983
Aicart, E.; Kumaran, M.K.; Halpin, C.J.; Benson, G.C., Ultrasonic speeds and isentropic compressibilities of 2-methylpentan-1-ol with hexane isomers at 298.15 K, J. Chem. Thermodynam., 1983, 15, 1189-1197. [all data]

Benson, D'Arcy, et al., 1983
Benson, G.C.; D'Arcy, P.J.; Sugamori, M.E., Heat capacities of binary mixtures of 1-hexanol with hexane isomers at 298.15 K, Thermochim. Acta, 1983, 71, 161-166. [all data]

Oguni, Watanabe, et al., 1982
Oguni, M.; Watanabe, K.; Matsuo, T.; Suga, H.; Seki, S., Construction of an adiabatic calorimeter workable under constant high pressure, Bull. Chem. Soc. Japan, 1982, 55, 77-84. [all data]

Czarnota, 1980
Czarnota, I., Heat capacity of 3-methylpentane at high pressures, Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1980, 28(9-10), 651-659. [all data]

Stull, 1937
Stull, D.R., A semi-micro calorimeter for measuring heat capacities at low temperatures, J. Am. Chem. Soc., 1937, 59, 2726-2733. [all data]

Douslin and Huffman, 1946
Douslin, D.R.; Huffman, H.M., Low-temperature thermal data on the five isometric hexanes, J. Am. Chem. Soc., 1946, 68, 1704-1708. [all data]

Rogers, Crooks, et al., 1987
Rogers, D.W.; Crooks, E.; Dejroongruang, K., Enthalpies of hydrogenation of the hexenes, J. Chem. Thermodyn., 1987, 19, 1209-1215. [all data]

Molnar, Rachford, et al., 1984
Molnar, A.; Rachford, R.; Smith, G.V.; Liu, R., Heats of hydrogenation by a simple and rapid flow calorimetric method, Appl. Catal., 1984, 9, 219-223. [all data]

Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D., Heats of isomerization of the five hexanes, J. Res. NBS, 1941, 27, 289-310. [all data]

Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]

Roganov, Kabo, et al., 1972
Roganov, G.N.; Kabo, G.Ya.; Andreevskii, D.N., Thermodynamics of the isomerization of methylpentanes and methylheptanes, Neftekhimiya, 1972, 12, 495-500. [all data]


Notes

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