benzene oxidane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational336.36kJ mol-1
Total (Trans. + Rot. + Vib.)346.27kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational97.98J mol-1 K-1
Total (Trans. + Rot. + Vib.)131.24J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.68J mol-1 K-1
Rotational124.64J mol-1 K-1
Vibrational149.33J mol-1 K-1
Total (Trans. + Rot. + Vib.)439.65J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-125.69kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy64.58kJ mol-1
Polar Solvation Energy-19.98kJ mol-1
Nonpolar Solvation Energy84.56kJ mol-1
Surface Area128.60Å2
Charge of Molecule0
Dipole1.88Debye