Research Article

A Theoretical and Experimental Study on Esterification of Citric Acid with the Primary Alcohols and the Hydroxyl Groups of Cellulose Chain (n = 1-2) in Parched Condition

Table 3

Calculated data in gas-phase and in water solvent at various temperatures when compared with the experimental data.

Reactions

CA⟶TS_A545.947.148.047.842.9
CA⟶TS_A642.544.645.939.1

The units of , , , , and are kcal/mol.