Acetonitrile

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational119.87kJ mol-1
Total (Trans. + Rot. + Vib.)129.79kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational18.07J mol-1 K-1
Total (Trans. + Rot. + Vib.)51.33J mol-1 K-1
Entropy
PropertyValueUnit
Translational155.07J mol-1 K-1
Rotational86.57J mol-1 K-1
Vibrational8.83J mol-1 K-1
Total (Trans. + Rot. + Vib.)250.48J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation97.34kJ mol-1

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-11.29kJ mol-1
Polar Solvation Energy-17.43kJ mol-1
Nonpolar Solvation Energy6.14kJ mol-1
Surface Area70.74Å2
Charge of Molecule0
Dipole4.05Debye