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  2. Heat of formation group additivity - Wikipedia

    en.wikipedia.org/wiki/Heat_of_formation_group...

    These four equations and 4 unknowns work out to estimations for P (-10.01 kcal/mol), S (-4.99 kcal/mol), T (-2.03 kcal/mol) and Q (-0.12 kcal/mol). Of course the accuracy will increase when the dataset increases. the data allow the calculation of heat of formation for isomers. For example, the pentanes: n-pentane = 2P + 3S = -35 (exp. -35 kcal/mol)

  3. Thermochemical equation - Wikipedia

    en.wikipedia.org/wiki/Thermochemical_equation

    Enthalpy is the transfer of energy in a reaction (for chemical reactions, it is in the form of heat) and is the change in enthalpy. Δ H {\displaystyle \Delta H} is a state function, meaning that Δ H {\displaystyle \Delta H} is independent of processes occurring between initial and final states.

  4. Benson group increment theory - Wikipedia

    en.wikipedia.org/wiki/Benson_group_increment_theory

    Once this is determined, all one needs to do is take the total value of Δ f H, subtract the Δ f H caused by the C−(C) 2 (H) 2 group(s), and then divide that number by two (due to two C−(C)(H) 3 groups), obtaining the value of the C−(C)(H) 3 group. From the knowledge of these two groups, Benson moved forward obtain and list functional ...

  5. Thermochemistry - Wikipedia

    en.wikipedia.org/wiki/Thermochemistry

    Thermochemistry is the study of the heat energy which is associated with chemical reactions and/or phase changes such as melting and boiling. A reaction may release or absorb energy, and a phase change may do the same. Thermochemistry focuses on the energy exchange between a system and its surroundings in the form of heat. Thermochemistry is ...

  6. Chemical thermodynamics - Wikipedia

    en.wikipedia.org/wiki/Chemical_thermodynamics

    Chemical energy is the energy that can be released when chemical substances undergo a transformation through a chemical reaction. Breaking and making chemical bonds involves energy release or uptake, often as heat that may be either absorbed by or evolved from the chemical system. Energy released (or absorbed) because of a reaction between ...

  7. Standard enthalpy of reaction - Wikipedia

    en.wikipedia.org/wiki/Standard_enthalpy_of_reaction

    For reactions which go rapidly to completion, it is often possible to measure the heat of reaction directly using a calorimeter. One large class of reactions for which such measurements are common is the combustion of organic compounds by reaction with molecular oxygen (O 2 ) to form carbon dioxide and water (H 2 O).

  8. Group-contribution method - Wikipedia

    en.wikipedia.org/wiki/Group-contribution_method

    The simplest form of a group-contribution method is the determination of a component property by summing up the group contributions : [] = +.This simple form assumes that the property (normal boiling point in the example) is strictly linearly dependent on the number of groups, and additionally no interaction between groups and molecules are assumed.

  9. Arrhenius equation - Wikipedia

    en.wikipedia.org/wiki/Arrhenius_equation

    In physical chemistry, the Arrhenius equation is a formula for the temperature dependence of reaction rates.The equation was proposed by Svante Arrhenius in 1889, based on the work of Dutch chemist Jacobus Henricus van 't Hoff who had noted in 1884 that the van 't Hoff equation for the temperature dependence of equilibrium constants suggests such a formula for the rates of both forward and ...