Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Benzene, 1-(chloromethyl)-4-methyl-


Gas phase ion energetics data

Go To: Top, References, Notes

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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.79 ± 0.03PIPonomarev, Takhimova, et al., 1974LLK

De-protonation reactions

C8H8Cl- + Hydrogen cation = Benzene, 1-(chloromethyl)-4-methyl-

By formula: C8H8Cl- + H+ = C8H9Cl

Quantity Value Units Method Reference Comment
Deltar1569. ± 9.6kJ/molD-EAHammad and Wenthold, 2000gas phase; B
Quantity Value Units Method Reference Comment
Deltar1539. ± 10.kJ/molH-TSHammad and Wenthold, 2000gas phase; B

References

Go To: Top, 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.

Ponomarev, Takhimova, et al., 1974
Ponomarev, D.A.; Takhimova, V.V.; Akopyan, M.E.; Sergeyev, Y.L., Effect of alkyl groups on the stability of cations in the absence of solvation effects, Zh. Org. Khim., 1974, 10, 403. [all data]

Hammad and Wenthold, 2000
Hammad, L.A.; Wenthold, P.G., Synthesis, characterization, and reactivity of the m-xylylene anion in the gas phase. The enthalpy of formation of m-xylylene, J. Am. Chem. Soc., 2000, 122, 45, 11203-11211, https://doi.org/10.1021/ja002138n . [all data]


Notes

Go To: Top, Gas phase ion energetics data, References