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1,3-Pentadiene, (E)-

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

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Individual Reactions

C5H7- + Hydrogen cation = 1,3-Pentadiene, (E)-

By formula: C5H7- + H+ = C5H8

Quantity Value Units Method Reference Comment
Deltar1545. ± 5.0kJ/molD-EAZimmerman, Gygax, et al., 1978gas phase; Acid: 1,4-pentadiene. (Z)-1,3-pentadiene is 7.0 kcal/mol more stable(weaker acid); B
Quantity Value Units Method Reference Comment
Deltar1525. ± 7.9kJ/molH-TSZimmerman, Gygax, et al., 1978gas phase; Acid: 1,4-pentadiene. (Z)-1,3-pentadiene is 7.0 kcal/mol more stable(weaker acid); B

1,3-Pentadiene, (Z)- = 1,3-Pentadiene, (E)-

By formula: C5H8 = C5H8

Quantity Value Units Method Reference Comment
Deltar-4.23 ± 0.75kJ/molEqkEgger and Benson, 1965gas phase; Heat of isomerization; ALS

Chlorine anion + 1,3-Pentadiene, (E)- = (Chlorine anion bullet 1,3-Pentadiene, (E)-)

By formula: Cl- + C5H8 = (Cl- bullet C5H8)

Quantity Value Units Method Reference Comment
Deltar15.5kJ/molTDEqFrench, Ikuta, et al., 1982gas phase; B

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.

Zimmerman, Gygax, et al., 1978
Zimmerman, A.H.; Gygax, R.; Brauman, J.I., Electron photodetachment spectroscopy of polyene anions. Electron affinities of pentadienyl and heptatrienyl radicals, J. Am. Chem. Soc., 1978, 100, 5595. [all data]

Egger and Benson, 1965
Egger, K.W.; Benson, S.W., Nitric oxide and iodine catalyzed isomerization of olefins. IV. Thermodynamic data from equilibrium studies of the geometrical isomerization of 1,3-pentadiene, J. Am. Chem. Soc., 1965, 87, 3311-3314. [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]


Notes

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