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Reaction Thermochemistry Calculator


Thermodynamic Analysis Results

Chemical Equation:

Select compound states

Thermodynamic Data Entry
CompoundΔH°f
(kJ/mol)

(J/(mol·K))
ΔG°f
(kJ/mol)
Reagents
CH4(g)
O2(g)
Products
CO2(g)
H2O(l)
Automatic Calculation (Database Values)

Thermodynamic Analysis
PropertyValueInterpretation
ΔH°rxn
Enthalpy Change
-890.31 kJ/molExothermic reaction: Heat is released to the surroundings
ΔS°rxn
Entropy Change
-242.85 J/(mol·K)
(-0.2429 kJ/(mol·K))
Entropy decreases: The system becomes more ordered
ΔG°rxn
Gibbs Free Energy Change
-817.90 kJ/molSpontaneous reaction: The reaction can proceed without external energy input

Thermodynamic Relationship:

ΔG° = ΔH° - TΔS°

ΔG° = -890.31 - (298.15)(-0.2429) = -817.90 kJ/mol

✓ Calculated value matches thermodynamic relationship

Step-by-step Calculation
Calculation Steps
Step 1: Apply thermodynamic formulas
ΔH°rxn = Σ ΔH°f(products) - Σ ΔH°f(reagents)
ΔS°rxn = Σ S°(products) - Σ S°(reagents)
ΔG°rxn = Σ ΔG°f(products) - Σ ΔG°f(reagents)

Step 2: Calculate enthalpy change (ΔH°)
ΔH°rxn = Σ[coef × ΔH°f(products)] - Σ[coef × ΔH°f(reagents)]
ΔH°rxn = [ΔH°f(CO2(g)) + 2 × ΔH°f(H2O(l))] - [ΔH°f(CH4(g)) + 2 × ΔH°f(O2(g))]
ΔH°rxn = [(-393.522) + 2 × (-285.83) = -571.66] - [(-74.873) + 2 × (0) = 0.00]
ΔH°rxn = -890.31 kJ/mol

Step 3: Calculate entropy change (ΔS°)
ΔS°rxn = Σ[coef × S°(products)] - Σ[coef × S°(reagents)]
ΔS°rxn = [S°(CO2(g)) + 2 × S°(H2O(l))] - [S°(CH4(g)) + 2 × S°(O2(g))]
ΔS°rxn = [(213.795) + 2 × (69.95) = 139.90] - [(186.251) + 2 × (205.147) = 410.29]
ΔS°rxn = -242.85 J/(mol·K)

Step 4: Calculate Gibbs free energy change (ΔG°)
ΔG°rxn = Σ[coef × ΔG°f(products)] - Σ[coef × ΔG°f(reagents)]
ΔG°rxn = [ΔG°f(CO2(g)) + 2 × ΔG°f(H2O(l))] - [ΔG°f(CH4(g)) + 2 × ΔG°f(O2(g))]
ΔG°rxn = [(-394.389) + 2 × (-237.141) = -474.28] - [(-50.768) + 2 × (0) = 0.00]
ΔG°rxn = -817.90 kJ/mol

Step 5: Verify using ΔG° = ΔH° - TΔS°
ΔG°calc = -890.31 - (298.15)(-0.2429)
ΔG°calc = -817.90 kJ/mol
✓ Values are consistent

Instructions for reaction thermochemistry calculation:

  • Enter a balanced chemical equation and click 'Calculate'. The thermodynamic properties will be calculated below
  • Always use the upper case for the first character in the element name and the lower case for the second character. Examples: Fe, Au, Co, Br, C, O, N, F.
  • Make sure the equation is balanced - unbalanced equations will give incorrect results
  • If thermodynamic data is not available for some compounds, you will be notified and can provide custom values

What is reaction thermochemistry?

Reaction thermochemistry involves calculating the energy changes that occur during chemical reactions. The key properties calculated are:

  • Enthalpy change (ΔH°): The heat absorbed or released during a reaction at constant pressure
  • Entropy change (ΔS°): The change in disorder of the system during the reaction
  • Gibbs free energy change (ΔG°): Determines if a reaction is spontaneous or requires external energy

These calculations use standard formation data at 25°C (298.15 K) and 1 atm pressure.

Example equations for thermochemistry calculation:

Understanding the results

The results table shows:

  • Negative ΔH: Exothermic reaction - heat is released
  • Positive ΔH: Endothermic reaction - heat is absorbed
  • Positive ΔS: Entropy increases - more disorder
  • Negative ΔS: Entropy decreases - more order
  • Negative ΔG: Spontaneous reaction under standard conditions
  • Positive ΔG: Non-spontaneous reaction under standard conditions

Learn about reaction thermochemistry:

Related:

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