Any good table of chemical thermodynamic data with provide this information. Probably among the best and most complete tables are those in the CRC Handbook of Chemistry and Physics. A new edition is published every year. In these tables, the enthalpy, entropy, and Gibbs free energy of a very large number of compounds relative to their constituent elements can be found. The values given typically assume the compounds are in their standard states, i.e., at standard temperature and pressure. At higher than standard temperature but still at standard pressure, the enthalpy and entropy of compounds are always higher than at the standard temperature, while the Gibbs free energy is in most cases lower (the higher the temperature, the greater the tendency of compounds to dissociate into their constituent elements). At higher than standard pressure but still at standard temperature, the entropy of of compounds is always lower and the Gibbs free energy is always higher than at standard pressure.

Thank you so much. I am trying to calculate chemical thermodynamic data for new compounds. So that I am looking for Softwares to calculate these data.

The fact that enthalpy, entropy, and Gibbs free energy are all additive state functions, i.e., their change is identical whether a chemical or physical process occurs in one step or many, can be helpful for values not found in tables. With respect to enthalpy it is known as Hess' Law but it applies equally well with respect to entropy and Gibbs free energy.

Thank you so much Dr. Denur

Usually thermodynamic property is represented as the sum of translational, rotational, vibrational and electronic contributions. The most difficult task is to calculate the contributions of large amplitude motions included in the vibrational contribution. Here the main question is - how accurately you want to get value

Well, I would answer that all of those functions have to be calculated experimentally. Independently that correlation rules are also possible to estimate them in some cases, e. g., organic families, using additive rules, Statistical Thermodynamics helps also in very simple organic molecules, etc . Thermal tables are increasing more and more all the time. Very precise Calorimeter Research Centers are still absolutely necessary.

Experimental calculations.

First: Taking measurements of the Cp vs T, of very a very pure sample of a compound, from low temperatures (the closer to 0K the better) using an adiabatic calorimeter, up to high temperatures, passing through all the possible phases (any kind of transitions), the tabulated  thermophysical functions can be obtained: Cp, T, HºT-Hº0 (relative enthalpy to 0K), SºT (3rd principle absolute entropy), and –[GºT--Hº0]/T (relative Gibbs function).

Second: the thermochemical function DformHºT (enthalpy of formation from the constituent elements in the stockiometry amounts of the compound, at a particular temperature) is needed to be calculated, as well, for the same compound. Here is more complicated depending on the chemical nature of the compound. If it is an organic one, only  a bomb calorimeter is needed to measure the heat of combustion at one particular temperature, DcombHºT. With this datum and al the combustion enthalpies of all the elements, the enthalpy of formation, DformHºT of the compound can be easily calculated (Hess law, first principle).

These data are all you need to calculate the Gibbs energy of formation, DformGºT of that compound. If you have all these termophysical and thermochemical data for all the compounds in a more or less complicated reaction you can get all the thermal information for the reaction: [DreacGºT = DreacHºT -TDreacSºT = - RTlnKa].

Thank you so much for this valuable information

may be Isothermal Titration Calorimetry (ITC)tech can help you to get enthalpy,entropy and gibbs free energy

Thank you

For excellent book reference, see: O. Kubaschewski, C.B. Alcock, P.J. Spencer, "Materials Thermochemistry", 6th ed., Pergamon Press, 1993.

Entropy: A concept that is not a physical quantity

https://www.researchgate.net/publication/230554936_Entropy_A_concept_that_is_not_a_physical_quantity

thanx

I found this. I hope it will be very useful. Cheers!

Thank you

After more tan two years, I red again the original question, and I still mantain the same answer. Why? I understand that Ghassab Al-Mazaideh is asking about chemical thermodinamic function of a pure compound (1 component). My answer is based in classical thermodynamics, an experimental science. The only basis of which are the three thermal pirinciples. Those functions are of course very useful to study the chemical reaction. The Hess low is the 1st principle. And the equilibrium constant (or standar Gibbs energy of a reaction) comes from the Gibbs equation, and it is really the 2nd principle of thermodynamics applied to a reacting system)

The answer was this (I copy it again here)

Well, I would answer that all of those functions have to be calculated experimentally. Independently that correlation rules are also possible to estimate them in some cases, e. g., organic families, using additive rules, Statistical Thermodynamics helps also in very simple organic molecules, etc . Thermal tables are increasing more and more all the time. Very precise Calorimeter Research Centers are still absolutely necessary.

Experimental calculations.

First: Taking measurements of the Cp vs T, of very a very pure sample of a compound, from low temperatures (the closer to 0K the better) using an adiabatic calorimeter, up to high temperatures, passing through all the possible phases (any kind of transitions), the tabulated  thermophysical functions can be obtained: Cp, T, HºT-Hº0 (relative enthalpy to 0K), SºT (3rd principle absolute entropy, also called practical or virtual entropy ), and –[GºT--Hº0]/T (relative Gibbs function).

Second: the thermochemical function DformHºT (enthalpy of formation from the constituent elements in the stockiometry amounts of the compound, at a particular temperature) is needed to be calculated, as well, for the same compound. Here is more complicated depending on the chemical nature of the compound. If it is an organic one, only  a bomb calorimeter is needed to measure the heat of combustion at one particular temperature, DcombHºT. With this datum and all the combustion enthalpies of all the elements, the enthalpy of formation, DformHºT of the compound can be easily calculated (Hess law, first principle).

These data are all you need to calculate the standard Gibbs energy of formation, DformGºT of that compound. If you have all of these termophysical and thermochemical data for all of the compounds in a more or less complicated reaction you can get all the thermal information for the reaction: [DreacGºT = DreacHºT -T(DreacSºT) = - RTlnKa].

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