2-methyl-1,2-thiazol-3-one

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational235.84kJ mol-1
Total (Trans. + Rot. + Vib.)245.76kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational77.02J mol-1 K-1
Total (Trans. + Rot. + Vib.)110.27J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.92J mol-1 K-1
Rotational115.79J mol-1 K-1
Vibrational62.47J mol-1 K-1
Total (Trans. + Rot. + Vib.)346.17J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-74.20kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-7.41kJ mol-1
Polar Solvation Energy-22.56kJ mol-1
Nonpolar Solvation Energy15.17kJ mol-1
Surface Area111.53Å2
Charge of Molecule0
Dipole2.72Debye