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The bond dissociation energy (enthalpy) [4] is also referred to as bond disruption energy, bond energy, bond strength, or binding energy (abbreviation: BDE, BE, or D). It is defined as the standard enthalpy change of the following fission: R—X → R + X. The BDE, denoted by Dº(R—X), is usually derived by the thermochemical equation,
If the enthalpies for each step can be measured, then their sum gives the enthalpy of the overall single reaction. [11] Finally the reaction enthalpy may be estimated using bond energies for the bonds which are broken and formed in the reaction of interest. This method is only approximate, however, because a reported bond energy is only an ...
The term bond-dissociation energy is similar to the related notion of bond-dissociation enthalpy (or bond enthalpy), which is sometimes used interchangeably.However, some authors make the distinction that the bond-dissociation energy (D 0) refers to the enthalpy change at 0 K, while the term bond-dissociation enthalpy is used for the enthalpy change at 298 K (unambiguously denoted DH° 298).
However, in some cases the enthalpy and entropy do change dramatically with temperature. A first-order approximation is to assume that the two different reaction products have different heat capacities. Incorporating this assumption yields an additional term c / T 2 in the expression for the equilibrium constant as a function of ...
For many substances, the formation reaction may be considered as the sum of a number of simpler reactions, either real or fictitious. The enthalpy of reaction can then be analyzed by applying Hess' law, which states that the sum of the enthalpy changes for a number of individual reaction steps equals the enthalpy change of the overall reaction.
Because of this, the enthalpy change is proportional to the number of moles participating in a given reaction. In other words, if a chemical change takes place by several different routes, the overall enthalpy change is the same, regardless of the route by which the chemical change occurs (provided the initial and final condition are the same).
Using the Eyring equation, there is a straightforward relationship between ΔG ‡, first-order rate constants, and reaction half-life at a given temperature. At 298 K, a reaction with ΔG ‡ = 23 kcal/mol has a rate constant of k ≈ 8.4 × 10 −5 s −1 and a half life of t 1/2 ≈ 2.3 hours, figures that are often rounded to k ~ 10 −4 s ...
This is a thermodynamic argument, and kinetics are ignored. As determined by the enthalpies below the corresponding molecules, the enthalpy of reaction for 2-methyl-1-butene going to 2-methyl-butane is −29.07 kcal/mol, which is in great agreement with the value calculated from NIST, [15] −28.31 kcal/mol. For 2-butanone going to 2-butanol ...