Chroman

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational451.93kJ mol-1
Total (Trans. + Rot. + Vib.)461.84kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational106.77J mol-1 K-1
Total (Trans. + Rot. + Vib.)140.03J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.84J mol-1 K-1
Rotational121.73J mol-1 K-1
Vibrational70.93J mol-1 K-1
Total (Trans. + Rot. + Vib.)362.50J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-92.82kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy12.80kJ mol-1
Polar Solvation Energy-9.97kJ mol-1
Nonpolar Solvation Energy22.74kJ mol-1
Surface Area120.40Å2
Charge of Molecule0
Dipole1.81Debye