Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational340.76kJ mol-1
Total (Trans. + Rot. + Vib.)350.67kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational94.12J mol-1 K-1
Total (Trans. + Rot. + Vib.)127.38J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.11J mol-1 K-1
Rotational123.27J mol-1 K-1
Vibrational87.69J mol-1 K-1
Total (Trans. + Rot. + Vib.)381.07J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-448.63kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 1.65 cm-1 View
  • 2 18.67 cm-1 View
  • 3 33.03 cm-1 View
  • 4 91.47 cm-1 View
  • 5 153.50 cm-1 View
  • 6 234.62 cm-1 View
  • 7 316.31 cm-1 View
  • 8 379.86 cm-1 View
  • 9 401.37 cm-1 View
  • 10 407.64 cm-1 View
  • 11 495.70 cm-1 View
  • 12 547.86 cm-1 View
  • 13 659.71 cm-1 View
  • 14 692.29 cm-1 View
  • 15 845.85 cm-1 View
  • 16 937.12 cm-1 View
  • 17 979.30 cm-1 View
  • 18 1013.60 cm-1 View
  • 19 1043.23 cm-1 View
  • 20 1080.16 cm-1 View
  • 21 1100.83 cm-1 View
  • 22 1131.67 cm-1 View
  • 23 1153.19 cm-1 View
  • 24 1159.06 cm-1 View
  • 25 1184.48 cm-1 View
  • 26 1217.25 cm-1 View
  • 27 1251.15 cm-1 View
  • 28 1317.31 cm-1 View
  • 29 1360.84 cm-1 View
  • 30 1377.09 cm-1 View
  • 31 1382.79 cm-1 View
  • 32 1464.95 cm-1 View
  • 33 1658.06 cm-1 View
  • 34 1979.02 cm-1 View
  • 35 2920.33 cm-1 View
  • 36 2928.26 cm-1 View
  • 37 2954.94 cm-1 View
  • 38 2996.84 cm-1 View
  • 39 3028.11 cm-1 View
  • 40 3420.41 cm-1 View
  • 41 3552.29 cm-1 View
  • 42 3838.08 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-0.05kJ mol-1
Polar Solvation Energy-30.36kJ mol-1
Nonpolar Solvation Energy30.35kJ mol-1
Surface Area131.09Å2
Charge of Molecule0
Dipole3.47Debye