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The constant for dissociation of the first proton may be denoted as K a1 and the constants for dissociation of successive protons as K a2, etc. Phosphoric acid, H 3 PO 4, is an example of a polyprotic acid as it can lose three protons.
For K′ 3 there are three different dissociation constants — there are only three possibilities for which pocket is filled last (I, II or III) — and one state (I–II–III). Even when the microscopic dissociation constant is the same for each individual binding event, the macroscopic outcome (K′ 1, K′ 2 and K′ 3) is not equal. This ...
K a is variously named a dissociation constant, [3] an acid ionization constant, [2]: 668 an acidity constant [1] or an ionization constant. [2]: 708 It serves as an indicator of the acid strength: stronger acids have a higher K a value (and a lower pK a value).
3 (i.e. the first acid dissociation constant for carbonic acid), K 2 is the equilibrium constant for the reaction HCO − 3 ⇌ H + + CO 2− 3 (i.e. the second acid dissociation constant for carbonic acid), and DIC is the (unchanging) total concentration of dissolved inorganic carbon in the system, i.e. [CO 2] + [HCO − 3] + [CO 2− 3].
The equilibrium constant for the protonation of a base, B, + H + ⇌ + is an association constant, K b, which is simply related to the dissociation constant of the conjugate acid, BH +. = The value of is ca. 14 at 25 °C. This approximation can be used when the correct value is not known.
FDPB-based methods calculate the change in the pK a value of an amino acid side chain when that side chain is moved from a hypothetical fully solvated state to its position in the protein. To perform such a calculation, one needs theoretical methods that can calculate the effect of the protein interior on a p K a value, and knowledge of the pKa ...
The starting point for the collection of the substituent constants is a chemical equilibrium for which the substituent constant is arbitrarily set to 0 and the reaction constant is set to 1: the deprotonation of benzoic acid or benzene carboxylic acid (R and R' both H) in water at 25 °C. Scheme 1. Dissociation of benzoic acids
C A is the analytical concentration of the acid, C H is the analytical concentration of added hydrogen ions, β q are the cumulative association constants. K w is the constant for self-ionization of water. There are two non-linear simultaneous equations in two unknown quantities [A 3−] and [H +]. Many computer programs are available to do ...