2,3-dihydroinden-1-one

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational393.00kJ mol-1
Total (Trans. + Rot. + Vib.)402.91kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational100.40J mol-1 K-1
Total (Trans. + Rot. + Vib.)133.65J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.65J mol-1 K-1
Rotational121.90J mol-1 K-1
Vibrational69.04J mol-1 K-1
Total (Trans. + Rot. + Vib.)360.59J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-74.81kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-2.13kJ mol-1
Polar Solvation Energy-17.01kJ mol-1
Nonpolar Solvation Energy14.84kJ mol-1
Surface Area123.81Å2
Charge of Molecule0
Dipole3.87Debye