Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational502.02kJ mol-1
Total (Trans. + Rot. + Vib.)511.94kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational144.72J mol-1 K-1
Total (Trans. + Rot. + Vib.)177.98J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.65J mol-1 K-1
Rotational127.68J mol-1 K-1
Vibrational155.72J mol-1 K-1
Total (Trans. + Rot. + Vib.)453.04J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation323.87kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 24.81 cm-1 View
  • 2 30.98 cm-1 View
  • 3 77.74 cm-1 View
  • 4 100.98 cm-1 View
  • 5 127.34 cm-1 View
  • 6 159.59 cm-1 View
  • 7 177.69 cm-1 View
  • 8 286.51 cm-1 View
  • 9 295.16 cm-1 View
  • 10 372.88 cm-1 View
  • 11 418.73 cm-1 View
  • 12 451.66 cm-1 View
  • 13 504.57 cm-1 View
  • 14 557.16 cm-1 View
  • 15 604.38 cm-1 View
  • 16 694.67 cm-1 View
  • 17 744.35 cm-1 View
  • 18 778.15 cm-1 View
  • 19 803.42 cm-1 View
  • 20 915.25 cm-1 View
  • 21 923.31 cm-1 View
  • 22 927.81 cm-1 View
  • 23 931.63 cm-1 View
  • 24 941.88 cm-1 View
  • 25 963.04 cm-1 View
  • 26 987.18 cm-1 View
  • 27 1005.07 cm-1 View
  • 28 1030.43 cm-1 View
  • 29 1031.54 cm-1 View
  • 30 1078.75 cm-1 View
  • 31 1106.77 cm-1 View
  • 32 1120.75 cm-1 View
  • 33 1138.11 cm-1 View
  • 34 1172.88 cm-1 View
  • 35 1183.51 cm-1 View
  • 36 1209.97 cm-1 View
  • 37 1221.99 cm-1 View
  • 38 1243.54 cm-1 View
  • 39 1265.98 cm-1 View
  • 40 1317.31 cm-1 View
  • 41 1323.80 cm-1 View
  • 42 1400.97 cm-1 View
  • 43 1446.10 cm-1 View
  • 44 1821.06 cm-1 View
  • 45 1839.68 cm-1 View
  • 46 1859.12 cm-1 View
  • 47 1886.56 cm-1 View
  • 48 1895.33 cm-1 View
  • 49 3015.82 cm-1 View
  • 50 3017.21 cm-1 View
  • 51 3019.98 cm-1 View
  • 52 3024.26 cm-1 View
  • 53 3025.38 cm-1 View
  • 54 3038.69 cm-1 View
  • 55 3039.58 cm-1 View
  • 56 3042.95 cm-1 View
  • 57 3133.46 cm-1 View
  • 58 3140.33 cm-1 View
  • 59 3140.91 cm-1 View
  • 60 3149.40 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy14.86kJ mol-1
Polar Solvation Energy-6.67kJ mol-1
Nonpolar Solvation Energy21.53kJ mol-1
Surface Area152.26Å2
Charge of Molecule0
Dipole0.16Debye