Isocyanatobenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational280.33kJ mol-1
Total (Trans. + Rot. + Vib.)290.24kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational87.71J mol-1 K-1
Total (Trans. + Rot. + Vib.)120.96J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.35J mol-1 K-1
Rotational120.36J mol-1 K-1
Vibrational74.22J mol-1 K-1
Total (Trans. + Rot. + Vib.)362.94J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation49.47kJ mol-1

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-0.59kJ mol-1
Polar Solvation Energy-12.73kJ mol-1
Nonpolar Solvation Energy12.16kJ mol-1
Surface Area116.60Å2
Charge of Molecule0
Dipole2.02Debye