Bicyclo[4.2.0]octa-2,4-diene


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
Δfgas45.23kcal/molChydRoth, Adamczak, et al., 1991 
Δfgas43.81kcal/molEqkGreathead and Orchard, 1983 

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

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Individual Reactions

2Hydrogen + Bicyclo[4.2.0]octa-2,4-diene = Bicyclo[4.2.0]octane

By formula: 2H2 + C8H10 = C8H14

Quantity Value Units Method Reference Comment
Δr-51.6 ± 0.1kcal/molChydTurner, Goebel, et al., 1968liquid phase; solvent: Acetic acid

C8H10N2O = Nitrous oxide + Bicyclo[4.2.0]octa-2,4-diene

By formula: C8H10N2O = N2O + C8H10

Quantity Value Units Method Reference Comment
Δr-2.31 ± 0.09kcal/molKinOth, Olsen, et al., 1977gas phase; At 426 K

Bicyclo[4.2.0]octa-2,4-diene = 1,3,5-Cyclooctatriene

By formula: C8H10 = C8H10

Quantity Value Units Method Reference Comment
Δr-0.14 ± 0.02kcal/molEqkGreathead and Orchard, 1983gas phase

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.

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]

Greathead and Orchard, 1983
Greathead, J.M.; Orchard, S.W., Kinetic and equilibrium study of gas-phase interconversions of 1,3,6-cyclooctatriene, 1,3,5-cyclooctatriene and bicyclo[4.2.0]octa-2,4-diene, Int. J. Chem. Kinet., 1983, 15, 1069-1080. [all data]

Turner, Goebel, et al., 1968
Turner, R.B.; Goebel, P.; Mallon, B.J.; Doering, W.E.; Coburn, J.F., Jr.; Pomerantz, M., Heats of hydrogenation. VIII. Compounds with three- and four-membered rings, J. Am. Chem. Soc., 1968, 90, 4315-4322. [all data]

Oth, Olsen, et al., 1977
Oth, J.F.M.; Olsen, H.; Synder, J.P., Energetics of heteroextrusion reactions. N2 vs. N2O, J. Am. Chem. Soc., 1977, 99, 8505-8507. [all data]


Notes

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