2-aminoacetonitrile

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational167.72kJ mol-1
Total (Trans. + Rot. + Vib.)177.64kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational35.61J mol-1 K-1
Total (Trans. + Rot. + Vib.)68.86J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.96J mol-1 K-1
Rotational99.21J mol-1 K-1
Vibrational24.74J mol-1 K-1
Total (Trans. + Rot. + Vib.)282.90J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation133.54kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 192.32 cm-1 View
  • 2 246.79 cm-1 View
  • 3 412.08 cm-1 View
  • 4 593.86 cm-1 View
  • 5 877.99 cm-1 View
  • 6 966.59 cm-1 View
  • 7 1013.81 cm-1 View
  • 8 1068.96 cm-1 View
  • 9 1136.15 cm-1 View
  • 10 1155.26 cm-1 View
  • 11 1334.89 cm-1 View
  • 12 1355.06 cm-1 View
  • 13 1658.91 cm-1 View
  • 14 2463.70 cm-1 View
  • 15 2899.36 cm-1 View
  • 16 2966.48 cm-1 View
  • 17 3399.82 cm-1 View
  • 18 3529.50 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-13.25kJ mol-1
Polar Solvation Energy-24.59kJ mol-1
Nonpolar Solvation Energy11.33kJ mol-1
Surface Area84.87Å2
Charge of Molecule0
Dipole4.74Debye