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Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational2.48kJ mol-1
Vibrational28.16kJ mol-1
Total (Trans. + Rot. + Vib.)36.84kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational8.31J mol-1 K-1
Vibrational8.78J mol-1 K-1
Total (Trans. + Rot. + Vib.)37.88J mol-1 K-1
Entropy
PropertyValueUnit
Translational151.16J mol-1 K-1
Rotational41.20J mol-1 K-1
Vibrational3.66J mol-1 K-1
Total (Trans. + Rot. + Vib.)196.02J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation2322.79kJ mol-1

Molecular Orbitals