Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational503.57kJ mol-1
Total (Trans. + Rot. + Vib.)513.48kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational143.33J mol-1 K-1
Total (Trans. + Rot. + Vib.)176.59J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.73J mol-1 K-1
Rotational124.03J mol-1 K-1
Vibrational126.00J mol-1 K-1
Total (Trans. + Rot. + Vib.)420.76J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-523.48kJ mol-1

Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 67.92 cm-1 View
  • 2 77.64 cm-1 View
  • 3 106.39 cm-1 View
  • 4 165.65 cm-1 View
  • 5 204.00 cm-1 View
  • 6 226.16 cm-1 View
  • 7 243.18 cm-1 View
  • 8 291.97 cm-1 View
  • 9 315.43 cm-1 View
  • 10 321.53 cm-1 View
  • 11 395.24 cm-1 View
  • 12 422.25 cm-1 View
  • 13 476.21 cm-1 View
  • 14 506.28 cm-1 View
  • 15 586.18 cm-1 View
  • 16 617.31 cm-1 View
  • 17 721.10 cm-1 View
  • 18 790.94 cm-1 View
  • 19 887.92 cm-1 View
  • 20 912.54 cm-1 View
  • 21 935.77 cm-1 View
  • 22 987.96 cm-1 View
  • 23 1005.71 cm-1 View
  • 24 1028.04 cm-1 View
  • 25 1032.12 cm-1 View
  • 26 1049.87 cm-1 View
  • 27 1060.58 cm-1 View
  • 28 1065.65 cm-1 View
  • 29 1085.44 cm-1 View
  • 30 1103.87 cm-1 View
  • 31 1133.01 cm-1 View
  • 32 1150.71 cm-1 View
  • 33 1158.92 cm-1 View
  • 34 1183.86 cm-1 View
  • 35 1204.41 cm-1 View
  • 36 1231.57 cm-1 View
  • 37 1252.84 cm-1 View
  • 38 1284.21 cm-1 View
  • 39 1293.40 cm-1 View
  • 40 1324.25 cm-1 View
  • 41 1344.26 cm-1 View
  • 42 1357.54 cm-1 View
  • 43 1375.32 cm-1 View
  • 44 1385.92 cm-1 View
  • 45 1403.77 cm-1 View
  • 46 1409.80 cm-1 View
  • 47 1439.11 cm-1 View
  • 48 1887.13 cm-1 View
  • 49 2812.54 cm-1 View
  • 50 2846.76 cm-1 View
  • 51 2871.92 cm-1 View
  • 52 2911.00 cm-1 View
  • 53 2943.94 cm-1 View
  • 54 2969.12 cm-1 View
  • 55 3020.41 cm-1 View
  • 56 3039.62 cm-1 View
  • 57 3060.57 cm-1 View
  • 58 3902.60 cm-1 View
  • 59 3909.39 cm-1 View
  • 60 3910.94 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-2.39kJ mol-1
Polar Solvation Energy-28.18kJ mol-1
Nonpolar Solvation Energy25.79kJ mol-1
Surface Area116.99Å2
Charge of Molecule0
Dipole2.94Debye