1-Butene, 3,3-dimethyl-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess

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Individual Reactions

Hydrogen + 1-Butene, 3,3-dimethyl- = Butane, 2,2-dimethyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Δr-30.07 ± 0.13kcal/molChydRogers, Crooks, et al., 1987liquid phase; ALS
Δr-30.10 ± 0.15kcal/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -30.34 ± 0.15 kcal/mol; AT 355 °K; ALS

C6H11- + Hydrogen cation = 1-Butene, 3,3-dimethyl-

By formula: C6H11- + H+ = C6H12

Quantity Value Units Method Reference Comment
Δr409.0 ± 4.0kcal/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Δr399.9 ± 4.1kcal/molH-TSGraul and Squires, 1990gas phase; B

1-Hexene = 1-Butene, 3,3-dimethyl-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Δr-3.80 ± 0.30kcal/molCisoBartolo and Rossini, 1960liquid phase; Calculated from ΔHc; ALS

Butane, 2,2-dimethyl- = Hydrogen + 1-Butene, 3,3-dimethyl-

By formula: C6H14 = H2 + C6H12

Quantity Value Units Method Reference Comment
Δr30.1 ± 0.2kcal/molCmKennedy, Shomate, et al., 1938liquid phase; ALS

References

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

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]

Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E., Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons, J. Am. Chem. Soc., 1937, 59, 831-841. [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]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

Bartolo and Rossini, 1960
Bartolo, H.F.; Rossini, F.D., Heats of isomerization of the seventeen isomeric hexenes, J. Phys. Chem., 1960, 64, 1685-1689. [all data]

Kennedy, Shomate, et al., 1938
Kennedy, Wm.D.; Shomate, C.H.; Parks, G.P., Thermal data on organic compounds. XVIII. The heat capacity of and entropy of t-butylethylene, J. Am. Chem. Soc., 1938, 60, 1507-1509. [all data]


Notes

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