Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational386.10kJ mol-1
Total (Trans. + Rot. + Vib.)396.02kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational115.23J mol-1 K-1
Total (Trans. + Rot. + Vib.)148.49J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.11J mol-1 K-1
Rotational124.09J mol-1 K-1
Vibrational101.57J mol-1 K-1
Total (Trans. + Rot. + Vib.)395.77J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-23.68kJ mol-1

Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 48.76 cm-1 View
  • 2 105.62 cm-1 View
  • 3 142.04 cm-1 View
  • 4 151.02 cm-1 View
  • 5 202.77 cm-1 View
  • 6 354.70 cm-1 View
  • 7 356.91 cm-1 View
  • 8 361.66 cm-1 View
  • 9 375.72 cm-1 View
  • 10 476.20 cm-1 View
  • 11 527.97 cm-1 View
  • 12 593.20 cm-1 View
  • 13 644.13 cm-1 View
  • 14 674.82 cm-1 View
  • 15 835.11 cm-1 View
  • 16 845.98 cm-1 View
  • 17 860.34 cm-1 View
  • 18 922.28 cm-1 View
  • 19 968.48 cm-1 View
  • 20 978.31 cm-1 View
  • 21 984.72 cm-1 View
  • 22 1005.78 cm-1 View
  • 23 1024.31 cm-1 View
  • 24 1059.32 cm-1 View
  • 25 1139.23 cm-1 View
  • 26 1145.08 cm-1 View
  • 27 1166.91 cm-1 View
  • 28 1218.58 cm-1 View
  • 29 1234.34 cm-1 View
  • 30 1313.81 cm-1 View
  • 31 1320.17 cm-1 View
  • 32 1361.84 cm-1 View
  • 33 1364.00 cm-1 View
  • 34 1395.28 cm-1 View
  • 35 1521.65 cm-1 View
  • 36 1543.44 cm-1 View
  • 37 1699.87 cm-1 View
  • 38 1764.75 cm-1 View
  • 39 1817.87 cm-1 View
  • 40 1859.68 cm-1 View
  • 41 2947.01 cm-1 View
  • 42 3039.23 cm-1 View
  • 43 3043.82 cm-1 View
  • 44 3047.27 cm-1 View
  • 45 3064.31 cm-1 View
  • 46 3071.02 cm-1 View
  • 47 3074.68 cm-1 View
  • 48 3132.52 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy7.58kJ mol-1
Polar Solvation Energy-14.64kJ mol-1
Nonpolar Solvation Energy22.20kJ mol-1
Surface Area129.86Å2
Charge of Molecule0
Dipole3.08Debye