CHM 341 Lab Report

Abstract
Molecule Simi-empirical Hartree-fock
Oxygen -0.020807 -149.528501
Naphthalene 0.263224 -381.049157
Azulene 0.268565 -380.973937
Carbon dioxide -0.120427 -186.545818
Water 0.1769681 -75.560421
10 8 () + 122 () 102 () + 42 ()
H =4*(-75.560421)+10*(-186.5458)-[12(-149.528)+(-
380.9739)]=7.61J
H =4*(-241.83)+10*(-393.51)-[12(-0)+(-1266.5)]=-3635.95J
I think naphthalene is more stable. Just the fact that it has
multiple carbon makes it more stable. Also it is a solid at room
temperature and has a lower than benzene vapor pressure. In
addition, if you leave it exposed to benzene in the air is not
insist for a long time or so pure. Naphthalene can stay at room
temperature in the air for too long, nothing will ever happen, for
its spread across the bad smell than others.
Heat capacity=Mass of benzoic acid*heat of combustion/delta T =0.988
g x (26.434 kJ / g) / 2.4942 Celsius degree = 10.471 kJ
Heat of combustion of naphthalene=
Heat of formation of naphthalene=5.40746*10^6 78084.3 J/mol
Literature Heat of formation of naphthalene=516020 kJ/mol
Result
Benzoic Acid
 TEMP(C)
30

25

20

15
TEMP(C)

10

0
0 200 400 600 800 1000

Td=468s
For y1 equation, chose date form 70s to 300s

23.22

23.2

23.18

23.16 y = 0.0003x + 23.053

R = 0.5341
23.14
Series1
23.12
Linear (Series1)
23.1

23.08

23.06

23.04
0 100 200 300 400

So, y1=0.0003x+23.053
For y2 equation, chose date form 570s to 770s
 25.78

25.76 y = 0.0002x + 25.594

R = 0.2608
25.74

25.72

25.7 Series1
Linear (Series1)
25.68

25.66

25.64

25.62
0 200 400 600 800 1000

So,y2=0.0002x+25.594
Delta temperature of benzoic acid=y1(td)-y2(td)=[0.0003(468) +
23.053] [0.0002(468) + 25.594] = 2.4942 Celsius degree
Mass of benzoic acid= 0.988g
Delta c H of benzoic acid=26434 J/g
Delta mass of iron of benzoic acid=initial mass - final
mass=0.0222g- 0.0073g=0.0149g
Delta c H of iron=5858 J/g
Delta temperature of benzoic acid=2.4942 degree Celsius
benzoic acid benzoic acid Fe of benzoic acid
= =(0.988g*26434
benzoic acid
J/g -0.0149g *5858 J/g ) / (2.4942 Celsius degree) =10436.01467J
Naphthalene
 TEMP(C)
29.5

29

28.5

28

27.5

TEMP(C)
27

26.5

26

25.5

25
0 200 400 600 800 1000 1200

td=390s
For y1 equation, chose date form 50s to 210s

TEMP(C)
25.305

25.3

25.295

25.29 TEMP(C)
Linear (TEMP(C))
25.285
y = -7E-05x + 25.299
25.28
R = 0.3846
25.275
0 100 200 300

So,y1=-0.00007x+25.299
For y2 equation, chose date form 660s to 1100s
 28.96
28.95
y = -0.0001x + 29.038
28.94 R = 0.4038
28.93
28.92
28.91 Series1

28.9 Linear (Series1)

28.89
28.88
28.87
28.86
0 500 1000 1500

So,y2=-0.0001x+29.038
Delta temperature of Naphthalene =y1(td)-y2(td)=[-
0.00007(390)+25.299]-[-0.0001(390)+29.038]=3.7273 Celsius Degree
=10436J
Delta of temperature of Naphthalene=3.7273 Celsius Degree
Delta mass of iron of Naphthalene =initial mass - final
mass=0.0305g-0.0174g=0.0131g
Delta c H of iron=5858 J/g
The mass of Naphthalene=0.9238g
Molecular mass of Naphthalene=128.17g/mol
Naphthalene + Naphthalene
Naphthalene = ( )
Naphthalene

Naphthalene =[(10436J*3.7273 Celsius Degree+0*.0131g5858 J/g)/

0.9238g]* 128.17g/mol=5.40746*10^(6) J/g
=
2 benzoic acid 2 +(
( benzoic acid ) +( benzoic acid ) benzoic
benzoic acid benzoic acid benzoic acid
=
26434 5858
10436.01467
( 0.01)2 + ( 2.4942
0.0001)2 +(
0.0001)
2.4942 2.4942

=41.8552J
Naphthalene = Naphthalene

Naphthalenee 2 Naphthalene cal Fe

( benzoic acid ) +( cal )2 +( Naphthalene )2 + ( Fe of Naphthalene )
Naphthalene Naphthalene Naphthalene Naphthalene

=128.17g/mol*

5858
6
(5.4074610 0.0001)2 + (3.7273
41.8552)2 +(
10436.01467
0.0001)2 + (
0.0001)2
0.9238 0.9238 0.9238 0.9238
 =78084.3J
Mint

By Visually observed, We estimate

Y1=28.17
Y2=29.40
td=387s
So, Delta temperature of mint =y1(td)-y2(td) is around 1.23 Celsius
Degree
Materials and Methods
Weighing a certain amount of benzoic acid, naphthalene and mint, and
three wire, into the reaction vessel was added the reaction of oxygen.
Measuring the temperature change over time.