Warning! Treatment of rotations classically (as done here) may lead to some error.
Recalculate using this temperature
Entropy
Integrated Heat Capacity
Heat Capacity
Contribution
J K-1 mol-1
kJ mol-1
J K-1 mol-1
Translation
Rotational
Vibrational
Electronic
Total
Details
Property
Degeneracy
Value
Units
Value
Units
Mass
46.087
amu
IaIbIc
1655.9
amu3 A6
7.581754E-117
gm3cm6
Point Group
C2v
symmetry number
2
vib.
3112
cm-1
vib.
1515
cm-1
vib.
1029
cm-1
vib.
1044
cm-1
vib.
3220
cm-1
vib.
1030
cm-1
elec.
1
0
cm-1
The equations used to derive the components of the entropy,
integrated heat capacity, and the heat capacity can be found
in the section on "Essential Statistical Thermodynamics"
Resources; Thermochemistry; Thermochemistry