Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational174.41kJ mol-1
Total (Trans. + Rot. + Vib.)184.32kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational27.57J mol-1 K-1
Total (Trans. + Rot. + Vib.)60.83J mol-1 K-1
Entropy
PropertyValueUnit
Translational155.07J mol-1 K-1
Rotational90.83J mol-1 K-1
Vibrational12.81J mol-1 K-1
Total (Trans. + Rot. + Vib.)258.71J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation972.67kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 433.83 cm-1 View
  • 2 436.73 cm-1 View
  • 3 444.60 cm-1 View
  • 4 914.67 cm-1 View
  • 5 938.26 cm-1 View
  • 6 1003.31 cm-1 View
  • 7 1123.57 cm-1 View
  • 8 1167.98 cm-1 View
  • 9 1182.53 cm-1 View
  • 10 1264.28 cm-1 View
  • 11 1302.28 cm-1 View
  • 12 1511.66 cm-1 View
  • 13 1705.49 cm-1 View
  • 14 2974.83 cm-1 View
  • 15 3059.11 cm-1 View
  • 16 3059.30 cm-1 View
  • 17 3087.12 cm-1 View
  • 18 3089.74 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-230.75kJ mol-1
Polar Solvation Energy-239.95kJ mol-1
Nonpolar Solvation Energy9.20kJ mol-1
Surface Area72.40Å2
Charge of Molecule1
Dipole1.14Debye