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For HA ⇌ H⁺ + A⁻ in a stated solvent convention, Ka relates the equilibrium activities.
ModelChemistryMass and charge balances in solutionQuantitative aqueous speciation combines equilibrium relations with conservation of analytical amounts and electroneutrality.
MethodChemistrySuccessive ionization of polyprotic acidsA polyprotic acid loses protons through successive equilibria, each with its own ionization constant.
ModelChemistryBuffer ratio and Henderson–Hasselbalch relationRearranging the acid dissociation relation gives pH=pKa+log₁₀(aA⁻/aHA).
ModelChemistryTitration curves, equivalence and endpointA titration equivalence point is fixed by reaction stoichiometry, whereas an observed endpoint is a measurement criterion.
MethodChemistryLewis acid–base adducts and formation constantsA Lewis base donates an electron pair and a Lewis acid accepts it in forming an adduct.
ModelChemistryIdeal-solution vapour pressures and mixture compositionFor an ideal liquid solution in equilibrium with an ideal vapour, Raoult's law gives each component's partial pressure as its liquid mole fraction times its pure-liquid vapour pressure at the same temperature.
ApproximationChemistryDilute-solution osmotic pressureFor an ideal dilute solution separated from pure solvent by a solvent-permeable membrane, osmotic pressure is approximately the molar concentration of osmotically active solute particles times RT.
ApproximationChemistryThe Gibbs phase ruleFor equilibrium among phases in a system described by independent components, the Gibbs phase rule gives F=C−P+2.
ModelChemistryIntegrated zero-, first- and second-order rate lawsFor irreversible loss of one species with constant rate coefficient, integrating −dc/dt=k cⁿ gives c=c₀−kt for n=0, c=c₀e⁻ᵏᵗ for n=1, and 1/c=1/c₀+kt for n=2.
ModelChemistrySteady-state and pre-equilibrium kinetic approximationsA low-concentration intermediate can have approximately equal formation and consumption rates after a short transient, allowing its rate equation to be eliminated from a mechanism.
ApproximationChemistryTransition-state rate modelTransition-state theory relates an elementary rate coefficient to a constrained activated-complex equilibrium and a crossing frequency.
ApproximationChemistryElectronic and nuclear separation in moleculesThe Born–Oppenheimer approximation separates electronic and nuclear motion by solving an electronic problem at fixed nuclear geometry and then describing nuclear motion on the resulting energy surface.
ApproximationChemistryHartree–Fock and density-functional electronic modelsHartree–Fock variationally optimizes a single-determinant description including mean Coulomb and exchange interactions.
ApproximationChemistryConformations and rotational energyConformations differ by rotations about bonds without changing connectivity.
ModelChemistryCahn–Ingold–Prelog R/S assignmentFor a tetrahedral stereogenic centre, rank attached groups by the Cahn–Ingold–Prelog rules: atomic number first, isotopic mass for isotopes, then the first point of difference with multiple-bond duplication.
MethodChemistryE/Z configuration of alkenesFor an alkene whose two substituents on each double-bond carbon can be distinguished, assign CIP priority independently on each carbon.
MethodChemistryConcerted nucleophilic substitution (SN2)An SN2 step forms a bond to a nucleophile as the leaving group departs through one transition state.
ModelChemistryIonization followed by substitution (SN1)In a simple SN1 pathway, slow substrate ionization forms a carbocation-containing intermediate before nucleophilic capture.
ModelChemistryConcerted elimination (E2)In an E2 step, removal of a β hydrogen, formation of an alkene bond and leaving-group departure occur together.
ModelChemistryStepwise E1 and E1cB eliminationE1 elimination proceeds through ionization followed by loss of a proton from a carbocation intermediate.
ModelChemistryElectrophilic addition and regiochemistryIn carbocation-mediated addition of HX to an alkene, protonation creates an intermediate that a nucleophile subsequently captures.
ModelChemistryAromatic π systems and Hückel countingIn the elementary Hückel description, a planar cyclic continuously conjugated π system with 4n+2 π electrons has a closed-shell aromatic pattern.
ModelChemistryElectrophilic aromatic substitutionIn a typical electrophilic aromatic substitution, the aromatic π system bonds to an electrophile, forming a nonaromatic σ intermediate.
ModelChemistryNucleophilic addition to aldehydes and ketonesA nucleophile adds to the electrophilic carbonyl carbon while the π electron pair moves toward oxygen, forming a tetrahedral intermediate.
ModelChemistryNucleophilic acyl substitutionFor a carboxylic acid derivative, nucleophilic addition can form a tetrahedral intermediate whose collapse expels a leaving group and restores the carbonyl.
ModelChemistryEnols, enolates and α-carbon reactivityRemoval of an α proton from a suitable carbonyl compound forms an enolate whose charge is distributed between oxygen and carbon by conjugation.
ModelChemistryAldol carbon–carbon bond formationIn a simple aldol pathway, an enolate or enol donor adds to another carbonyl acceptor to create a carbon–carbon bond.
ModelChemistryRadical chain initiation, propagation and terminationA radical chain has initiation steps that generate radicals, propagation steps that transform reactants while regenerating a radical carrier, and termination steps that consume carriers.
ModelChemistryKinetic and thermodynamic product controlKinetic control favours products formed more rapidly before equilibration; thermodynamic control reflects an accessible equilibrium product distribution.
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