1h-pyrazole

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational183.88kJ mol-1
Total (Trans. + Rot. + Vib.)193.80kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational34.97J mol-1 K-1
Total (Trans. + Rot. + Vib.)68.22J mol-1 K-1
Entropy
PropertyValueUnit
Translational161.38J mol-1 K-1
Rotational101.22J mol-1 K-1
Vibrational14.48J mol-1 K-1
Total (Trans. + Rot. + Vib.)277.08J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation204.11kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-14.58kJ mol-1
Polar Solvation Energy-21.84kJ mol-1
Nonpolar Solvation Energy7.23kJ mol-1
Surface Area81.07Å2
Charge of Molecule0
Dipole3.09Debye