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Benzoic acid, 4-methoxy-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-108.0 ± 0.33kcal/molCcbColomina, Jimenez, et al., 1978ALS
Quantity Value Units Method Reference Comment
gas98.7cal/mol*KN/AAlcolea P.M., 1994This value was calculated by semiempirical AM1 method for anti conformer. The same authors have calculated the value of S(298.15 K)=395 J/mol*K by ab initio 4-21G* basis set method. The value of 436 J/mol*K was estimated for equilibrium mixture of conformers by difference method [ Dorofeeva O.V., 1997].; GT

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.

Colomina, Jimenez, et al., 1978
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C., Thermochemical properties of benzoic acid derivatives VII. Enthalpies of combustion and formation of the o-, m-, and p-methoxy-benzoic acids, J. Chem. Thermodyn., 1978, 10, 661-665. [all data]

Alcolea P.M., 1994
Alcolea P.M., Spectroscopy of p-methoxybenzoic acid: an AM1 and ab initio study, Appl. Spectrosc., 1994, 48, 27-36. [all data]

Dorofeeva O.V., 1997
Dorofeeva O.V., Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]


Notes

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