Vaporization and Gaseous Phase Formation Enthalpies for 4-Nitrobenzyl alcohol by Quantum Chemistry Composite and Semi-empirical Methods

Abstract In the present work it is presented, for the first time, the standard gaseous formation enthalpy and the vaporization enthalpy for 4-Nitrobenzyl alcohol. Such thermochemical data wereobtained  byquantum chemistry composite and semi-empirical methods, as well as experimental data from literature. The ΔfHm0 (g) and ΔvapHm0 values (kJ mol-1) are 115.07 ± 0.73 and 66.43 ± 0.73, respectively.

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Updated: June 25, 2023 — 9:58 am