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(E)-Hexa-1,5-diyne-3-ene


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

5Hydrogen + (E)-Hexa-1,5-diyne-3-ene = n-Hexane

By formula: 5H2 + C6H4 = C6H14

Quantity Value Units Method Reference Comment
Deltar-705. ± 2.kJ/molChydRoth, Adamczak, et al., 1991liquid phase

(E)-Hexa-1,5-diyne-3-ene = (Z)-Hexa-1,5-diyne-3-ene

By formula: C6H4 = C6H4

Quantity Value Units Method Reference Comment
Deltar0.0 ± 5.9kJ/molEqkRoth, Hopf, et al., 1994gas phase; At 949 K

References

Go To: Top, Reaction thermochemistry data, Notes

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]

Roth, Hopf, et al., 1994
Roth, W.R.; Hopf, H.; Horn, C., Propargyl-Stabilisierungsenergie, Chem. Ber., 1994, 127, 1781-1795. [all data]


Notes

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