Equilibrium constants of some reactions involved in the production of 1,3-butadiene

Abstract

Thermodynamic functions including free energy, enthalpy, entropy, and specific heat, are given for the compounds butadiene, benzene, cyclonexane, etnane, etnylene, etnyl alcohol and water and for the elements carbon (graphite), hydrogen and oxygen. From these are calculated and tabulated values of equilibrium constants for reactions of interest in connection with the production of 1,3-butadiene for synthetic rubber. Comparisons are made between table values and available experimental data on equilibrium constants, gaseous specific heats and entropies. The cracking of hydrocarbons is discussed and the importance of reaction rates in determining the amounts of reaction products is noted.

Calorimetric properties of diphenyl ether from 0-degrees to 570-degrees-K

“…calcula ted from a drop experiment sLarting with the liquid includes th e h eat of fusion. T he sample was initially in th e liquid tate in all experim en ts excep t a few at fu rnace temperature of 25.00° and 26.60° C (jus t below Lhe Lriple poinL ). In these experimen ts, Lbe sample was solidified by dropping into the icc calorimeter prior Lo holding the solid sample in the furnace.…”

“…The standard entropy of formation for solid diphenyl ether a t 298 .16°Ie was computed from Lhe standard entropies of diph enyl eth er (table 4), graphite (5.720 ± 0.050 ab j deg-I mole-I), gaseou hydrogen (130.574 ± 0.01O abs j deg-I mole-I), gaseous oxygen (205.073 abs j deg-I mole-I) [25] by evaluating th e expression : (12) in which l1.S; is the standard entropy of formation ; and the subscripts C and E indicate the compound and th e element, r espectively. The standa~'d eI?--tropy of formation for diphenyl ether so obtamedls …”

A Test of Transition State Theory

“…(4), that of trifluoroethane is SI2 = 66.87 e.u. (5), and that of hexafluoroethane can be calculated from the data of Pace and Aston (6) to be S ?…”

Calorimetric properties of benzoic acid from 0-degrees to 410-degrees-K

“…Th e standard entropies of graphi te, hydrogen , and oxygen used in the calculation are 5.720 ± 0.050 [9], 130.574 ± 0.0 10 [10, 11] and 205.073 ± 0.010 [12,13] abs j °K -l mole-I, respectively . The valu e so obtained is AS ;298.…”