Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational221.89kJ mol-1
Total (Trans. + Rot. + Vib.)231.81kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational152.80J mol-1 K-1
Total (Trans. + Rot. + Vib.)186.06J mol-1 K-1
Entropy
PropertyValueUnit
Translational172.04J mol-1 K-1
Rotational126.93J mol-1 K-1
Vibrational217.50J mol-1 K-1
Total (Trans. + Rot. + Vib.)516.47J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation221.31kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 13.54 cm-1 View
  • 2 19.37 cm-1 View
  • 3 26.31 cm-1 View
  • 4 52.75 cm-1 View
  • 5 77.11 cm-1 View
  • 6 124.29 cm-1 View
  • 7 150.02 cm-1 View
  • 8 181.33 cm-1 View
  • 9 187.10 cm-1 View
  • 10 194.38 cm-1 View
  • 11 227.02 cm-1 View
  • 12 273.03 cm-1 View
  • 13 280.82 cm-1 View
  • 14 348.87 cm-1 View
  • 15 407.57 cm-1 View
  • 16 443.48 cm-1 View
  • 17 526.68 cm-1 View
  • 18 538.81 cm-1 View
  • 19 670.57 cm-1 View
  • 20 691.12 cm-1 View
  • 21 770.48 cm-1 View
  • 22 814.14 cm-1 View
  • 23 979.80 cm-1 View
  • 24 1023.47 cm-1 View
  • 25 1086.56 cm-1 View
  • 26 1130.25 cm-1 View
  • 27 1187.21 cm-1 View
  • 28 1228.05 cm-1 View
  • 29 1332.16 cm-1 View
  • 30 1360.64 cm-1 View
  • 31 1390.90 cm-1 View
  • 32 1405.43 cm-1 View
  • 33 3048.59 cm-1 View
  • 34 3078.76 cm-1 View
  • 35 3140.51 cm-1 View
  • 36 3977.33 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy0.84kJ mol-1
Polar Solvation Energy-17.69kJ mol-1
Nonpolar Solvation Energy18.52kJ mol-1
Surface Area146.66Å2
Charge of Molecule0
Dipole1.66Debye