1-chloro-4-nitrobenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational259.96kJ mol-1
Total (Trans. + Rot. + Vib.)269.87kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational98.98J mol-1 K-1
Total (Trans. + Rot. + Vib.)132.24J mol-1 K-1
Entropy
PropertyValueUnit
Translational171.80J mol-1 K-1
Rotational125.68J mol-1 K-1
Vibrational89.89J mol-1 K-1
Total (Trans. + Rot. + Vib.)387.37J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation35.46kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-9.25kJ mol-1
Polar Solvation Energy-31.95kJ mol-1
Nonpolar Solvation Energy22.70kJ mol-1
Surface Area142.38Å2
Charge of Molecule0
Dipole5.22Debye