2-(bis(cyanomethyl)amino)acetonitrile

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational317.89kJ mol-1
Total (Trans. + Rot. + Vib.)327.81kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational120.96J mol-1 K-1
Total (Trans. + Rot. + Vib.)154.22J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.84J mol-1 K-1
Rotational126.33J mol-1 K-1
Vibrational130.00J mol-1 K-1
Total (Trans. + Rot. + Vib.)426.16J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation436.38kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-17.71kJ mol-1
Polar Solvation Energy-44.47kJ mol-1
Nonpolar Solvation Energy26.75kJ mol-1
Surface Area143.37Å2
Charge of Molecule0
Dipole3.28Debye