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The value of the equilibrium constant for the formation of a 1:1 complex, such as a host-guest species, may be calculated with a dedicated spreadsheet application, Bindfit: [4] In this case step 2 can be performed with a non-iterative procedure and the pre-programmed routine Solver can be used for step 3.
The equilibrium constant of a chemical reaction is the value of its reaction quotient at chemical equilibrium, a state approached by a dynamic chemical system after sufficient time has elapsed at which its composition has no measurable tendency towards further change. For a given set of reaction conditions, the equilibrium constant is ...
Hence, the main functional application of Gibbs energy from a thermodynamic database is its change in value during the formation of a compound from the standard-state elements, or for any standard chemical reaction (ΔG° form or ΔG° rx). The SI units of Gibbs energy are the same as for enthalpy (J/mol).
All chemical transformations pass through an unstable structure called the transition state, which is poised between the chemical structures of the substrates and products. The transition states for chemical reactions are proposed to have lifetimes near 10 −13 seconds, on the order of the time of a single bond vibration. No physical or ...
When pure substances (liquids or solids) are involved in equilibria their activities do not appear in the equilibrium constant [14] because their numerical values are considered one. Applying the general formula for an equilibrium constant to the specific case of a dilute solution of acetic acid in water one obtains
A chemical reaction may undergo different reaction mechanisms at different temperatures. [13] In this case, a Van 't Hoff plot with two or more linear fits may be exploited. Each linear fit has a different slope and intercept, which indicates different changes in enthalpy and entropy for each distinct mechanisms.
These calculations find application in many different areas of chemistry, biology, medicine, and geology. For example, many compounds used for medication are weak acids or bases, and a knowledge of the p K a values, together with the octanol-water partition coefficient , can be used for estimating the extent to which the compound enters the ...
Even at pH 7–7.2, the range of biological pH values, the aqueous phase may support an equilibrium between more than one protonated form. log p is determined from the analytical concentration of the substance in the aqueous phase, that is, the sum of the concentration of the different species in equilibrium.