Understanding the calculation of enthalpy of the formation of benzene

In summary, the calculation of the enthalpy of formation of benzene involves determining the energy change when one mole of benzene is formed from its elements in their standard states. This process typically requires the use of Hess's law, which allows for the addition of enthalpy changes of related reactions. Key data, such as the standard enthalpies of formation of carbon dioxide and hydrogen gas, along with the combustion reaction of benzene, are utilized to derive the enthalpy of formation. The final value reflects the stability of benzene compared to its constituent elements, highlighting its aromatic nature and resonance stabilization.
  • #1
zenterix
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Homework Statement
One gram of liquid benzene is burned in a bomb calorimeter. The temperature before ignition was ##20.826^\circ C## and the temperature after the combustion was ##25.000^\circ C##.

This was an adiabatic container.

The heat capacity of the bomb, the water around it, and the contents of the bomb after the combustion was ##10^4\mathrm{JK^{-1}}##.

Calculate ##\Delta_f H^\circ## for ##C_6H_6(l)## at ##298.15\text{K}## from these data.
Relevant Equations
Assume that the water produced in the combustion is in the liquid state and the carbon dioxide produced in the combustion is in the gas state.
I really struggled with this problem and did not make headway on my own. Here is the solution from the solution manual.

1722386733316.png


I tried to understand the above by drawing the following picture.

1722385555509.png

Reaction 1 is the balanced equation for the reaction that happened in the constant-volume calorimeter. The actual reaction involved 1g of benzene which is ##1/78.11\ \text{mol}## of benzene.

Since the process was adiabatic and constant-volume then the change in internal energy is zero.

We want the enthalpy of formation of benzene at ##25^\circ C##. We can calculate this from reaction 5 if we are able to determine the reaction enthalpy of 5.

Since we are given the heat capacity of the products of reaction 1 (same products as of reaction 5), then we can compute

$$\Delta U_2=q_{V,2}=\int_{298}^{293.826} 10^4 dT=-41.74\text{kJ}$$

Note that this is the heat required to change the temperature of the products of the combustion of only 1g of benzene (that is, the stoichiometric coefficients involved are not the ones shown above, but something much smaller).

We can, however, determine the change ##\Delta U_2## for 1 mol of benzene.

$$-41.74\mathrm{\frac{kJ}{g}\cdot 78.11\frac{g}{mol}}$$

$$=-3255.7\mathrm{\frac{kJ}{mol}}$$

At this point I got stuck and could not understand what the next steps were.

The solution manual calculations seem to me to be describing the following.

1722386921255.png


If the given heat capacity given in the problem statement were for the reactants instead of the products, then the calculation above would have given us ##q_{V,6}##.

We could write

$$\Delta U_{V,6}+\Delta U_{V,1}=\Delta U_{V,5}$$

$$\Delta U_{V,5}=\Delta U_{V,6}=-3255.7\mathrm{\frac{kJ}{mol}}$$

Then

$$\Delta H_{V,5}=\Delta U_{V,5}+RT\Delta n_{V,5}$$

$$=-3255.7\mathrm{\frac{kJ}{mol}}+RT(-1.5\ \text{mol})$$

$$=-3259.4\mathrm{kJ\ mol^{-1}}$$

This is the enthalpy of combustion at ##298\text{K}##, ie ##\Delta H_{V,5}=\Delta_cH(298\text{K})##.

At this point we can compute the enthalpy of formation of benzene at ##298\text{K}##.

This latter result relied on my assuming that the problem statement is incorrect, ie the given heat capacity is for the reactants before combustion rather than of the products after combustion.

So, is the problem statement correct, or else what am I getting wrong?
 
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  • #2
You are correct in your approach. In bomb calorimetry we generally assume that any difference in heat capacity between reactants and products is negligible compared to the total heat capacity. In this case I estimate that the heat capacity of the reactants is lower than that of the products by less than 1 J/K, i.e. less than 1 part in 10,000 of the total heat capacity. The magnitude of ΔU is reduced by ca. 240 J/mol. This is a very small fraction of ΔU, but it means the heat of formation is more like 41.2 than 41.4 kJ/mol - a much larger relative difference. I think that you are meant to assume the heat capacity doesn't change, but that does raise the question how many sig figs are justified in the answer on this assumption.
By comparison, what relative error is introduced by taking the MW of benzene as 78? (BTW, you seem to have copied the book answer for ΔU, rather than doing your own calculation yourself.)
 
  • #3
mjc123 said:
I estimate that the heat capacity of the reactants is lower than that of the products by less than 1 J/K, i.e. less than 1 part in 10,000 of the total heat capacity.
How did you do this estimate?
mjc123 said:
You are correct in your approach.
The approach in the second picture I posted?
mjc123 said:
(BTW, you seem to have copied the book answer for ΔU, rather than doing your own calculation yourself.)
Indeed. I was trying to understand the underlying reasons for the calculations, and skipped the calculations.

Here are the calculations as I posed them in second part of the OP (ie the calculations for the 2nd picture)

1722458083888.png

The solution manual uses ##78\text{g/mol}## for the molar mass of benzene instead of ##78.11\text{g/mol}## which is what I am getting from the ThermophysicalData package from Maple.

Using their figure we have

1722458189903.png

It is not clear why they got ##41.4\text{kJ}## as their result for the last calculation above. The intermediate results (the first three calculations) all match and the equation in the last expression is the same they are using, so I am confused.
 
  • #4
I agree with you about the last calculation.

The issue here is, I think, that you would normally equilibrate your calorimeter at the temperature of interest (e.g. 298K), then do the experiment. Then the book method works.
Let us assume
Initial temperature T0, final temperature Tf; difference ΔT.
Total heat capacity of bomb, contents and water after the experiment Ct
Total heat capacity of bomb, contents and water before the experiment Ct - δ, where δ is the difference in heat capacity between products and reactants.
Referring to your initial picture, following the (3,2) route:
-ΔU(T0) = Ct*ΔT
ΔU(T1) = ΔU(T0) + δ*ΔT
ΔH(T1) = ΔU(T1) + ΔnRT1
The book has omitted the δ*ΔT.
Following the (4,5) route:
-ΔU(T1) = (Ct - δ)*ΔT (you can see that this is equivalent to the previous result)
ΔH(T1) = ΔU(T1) + ΔnRT1
Either way, you need to know δ, which you are not given. I calculated it from heat capacities from Wikipedia (subtracting R from the Cp values for the gases). Here are my results. Note that the difference due to assuming MW (benzene) = 78 is much bigger than the correction due to δ - about 10% of the heat of formation (a small difference between large quantities). Hence the importance of accurate measurements and accurate data input.

MWCv,mmnmolCtotal
g/molJ/mol/KgJ/KJ/K
C6H6
78.114​
134.8​
1​
1​
0.012802​
1.725683​
O2
31.998​
21.064​
7.5​
0.096014​
2.022429​
3.748112​
reactants
CO2
44.009​
28.821​
6​
0.076811​
2.213764​
H2O
18.015​
75.385​
3​
0.038405​
2.895192​
5.108956​
products
1.360844​
difference
dT
4.174​
K
-3259.4​
book
CT
10000​
J/K
-2361.06​
6CO2
dU0
-41740​
J
-857.49​
3H2O
dU0,m
-3260.48​
kJ/mol
40.85​
book result
dUf
-41734.3​
J
dUf,m
-3260.03​
kJ/mol
dHf,m
-3263.75​
kJ/mol
dfH
45.20289​
kJ/mol
 
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FAQ: Understanding the calculation of enthalpy of the formation of benzene

What is the enthalpy of formation of benzene?

The enthalpy of formation of benzene is the change in enthalpy when one mole of benzene is formed from its elements in their standard states. For benzene (C6H6), this involves the formation from carbon (solid graphite) and hydrogen (gas) under standard conditions.

How is the enthalpy of formation of benzene calculated?

The enthalpy of formation of benzene can be calculated using Hess's Law, which states that the total enthalpy change for a reaction is the sum of the enthalpy changes for the individual steps of the reaction. By using standard enthalpy values for the formation of reactants and products, one can determine the enthalpy change for the formation of benzene.

What are the standard conditions for measuring the enthalpy of formation?

The standard conditions for measuring enthalpy of formation are typically defined as a temperature of 298.15 K (25 °C) and a pressure of 1 atm. Under these conditions, the enthalpy values are referenced to ensure consistency across different measurements.

What is the significance of the negative value of the enthalpy of formation for benzene?

A negative value for the enthalpy of formation indicates that the formation of benzene from its elements is an exothermic process, meaning it releases heat. This suggests that benzene is more stable than its constituent elements under standard conditions.

Why is benzene's enthalpy of formation important in chemistry?

The enthalpy of formation of benzene is important in chemistry because it helps in understanding the stability and reactivity of benzene and its derivatives. It is also crucial for calculating reaction enthalpies in organic synthesis and for predicting the behavior of benzene in various chemical reactions.

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