Hexane, 2,5-dimethyl-

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-222.6 ± 1.5kJ/molCcbProsen and Rossini, 1945 

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-260.5 ± 1.5kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Δcliquid-5460.1 ± 1.4kJ/molCcbProsen and Rossini, 1945Corresponding Δfliquid = -260.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-5435.9kJ/molCcbFajans, 1920Corresponding Δfliquid = -285. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-5266.2kJ/molCcbRichards and Jesse, 1910At 293 K; Corresponding Δfliquid = -454.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
249.20298.15Osborne and Ginnings, 1947T = 278 to 318 K.; 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

Octane = Hexane, 2,5-dimethyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-10.6 ± 1.2kJ/molCisoProsen and Rossini, 1945, 2liquid phase; Calculated from ΔHc

(Z)-2,5-Dimethylhex-3-ene + Hydrogen = Hexane, 2,5-dimethyl-

By formula: C8H16 + H2 = C8H18

Quantity Value Units Method Reference Comment
Δr-120.0 ± 0.08kJ/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid

Hydrogen + 3-Hexene, 2,5-dimethyl-, (E)- = Hexane, 2,5-dimethyl-

By formula: H2 + C8H16 = C8H18

Quantity Value Units Method Reference Comment
Δr-112.2 ± 0.2kJ/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid

3Hydrogen + 2,5-Dimethyl-(E)-1,3,5-hexatriene = Hexane, 2,5-dimethyl-

By formula: 3H2 + C8H12 = C8H18

Quantity Value Units Method Reference Comment
Δr-318. ± 0.4kJ/molChydRoth, Adamczak, et al., 1991liquid phase

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 compiled by: Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference
9.76ESTLuo and Pacey, 1992

References

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

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]

Fajans, 1920
Fajans, K., Die Energie der Atombindungen im Diamanten und in aliphatischen Kohlenwasserstoffen, Ber., 1920, 53, 643-665. [all data]

Richards and Jesse, 1910
Richards, T.W.; Jesse, R.H., Jr., The heats of combustion of the octanes and xylenes, J. Am. Chem. Soc., 1910, 32, 268-298. [all data]

Osborne and Ginnings, 1947
Osborne, N.S.; Ginnings, D.C., Measurements of heat of vaporization and heat capacity of a number of hydrocarbons, J. Res. NBS, 1947, 39, 453-477. [all data]

Prosen and Rossini, 1945, 2
Prosen, E.J.; Rossini, F.D., Heats of isomerization of the 18 octanes, J. Res. NBS, 1945, 34, 163-174. [all data]

Turner, Jarrett, et al., 1973
Turner, R.B.; Jarrett, A.D.; Goebel, P.; Mallon, B.J., Heats of hydrogenation. 9. Cyclic acetylenes and some miscellaneous olefins, J. Am. Chem. Soc., 1973, 95, 790-792. [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]

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]


Notes

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