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Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational2.48kJ mol-1
Vibrational19.99kJ mol-1
Total (Trans. + Rot. + Vib.)28.67kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational8.31J mol-1 K-1
Vibrational16.17J mol-1 K-1
Total (Trans. + Rot. + Vib.)45.27J mol-1 K-1
Entropy
PropertyValueUnit
Translational155.36J mol-1 K-1
Rotational53.93J mol-1 K-1
Vibrational9.31J mol-1 K-1
Total (Trans. + Rot. + Vib.)218.60J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation1544.74kJ mol-1

Molecular Orbitals