Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational148.66kJ mol-1
Total (Trans. + Rot. + Vib.)158.57kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational49.58J mol-1 K-1
Total (Trans. + Rot. + Vib.)82.83J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.30J mol-1 K-1
Rotational108.51J mol-1 K-1
Vibrational43.27J mol-1 K-1
Total (Trans. + Rot. + Vib.)316.08J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-35.59kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 139.09 cm-1 View
  • 2 164.13 cm-1 View
  • 3 247.67 cm-1 View
  • 4 317.51 cm-1 View
  • 5 426.29 cm-1 View
  • 6 524.11 cm-1 View
  • 7 876.05 cm-1 View
  • 8 963.31 cm-1 View
  • 9 1039.03 cm-1 View
  • 10 1153.80 cm-1 View
  • 11 1214.00 cm-1 View
  • 12 1392.19 cm-1 View
  • 13 1406.10 cm-1 View
  • 14 1426.01 cm-1 View
  • 15 3037.45 cm-1 View
  • 16 3049.21 cm-1 View
  • 17 3064.43 cm-1 View
  • 18 3160.66 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy5.87kJ mol-1
Polar Solvation Energy-35.28kJ mol-1
Nonpolar Solvation Energy41.13kJ mol-1
Surface Area129.91Å2
Charge of Molecule0
Dipole6.18Debye