Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational635.89kJ mol-1
Total (Trans. + Rot. + Vib.)645.80kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational196.03J mol-1 K-1
Total (Trans. + Rot. + Vib.)229.29J mol-1 K-1
Entropy
PropertyValueUnit
Translational172.13J mol-1 K-1
Rotational127.77J mol-1 K-1
Vibrational183.01J mol-1 K-1
Total (Trans. + Rot. + Vib.)482.90J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-132.08kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 31.97 cm-1 View
  • 2 76.12 cm-1 View
  • 3 96.96 cm-1 View
  • 4 110.08 cm-1 View
  • 5 116.10 cm-1 View
  • 6 172.59 cm-1 View
  • 7 192.62 cm-1 View
  • 8 213.31 cm-1 View
  • 9 227.49 cm-1 View
  • 10 263.86 cm-1 View
  • 11 273.01 cm-1 View
  • 12 311.82 cm-1 View
  • 13 351.95 cm-1 View
  • 14 361.85 cm-1 View
  • 15 386.57 cm-1 View
  • 16 422.13 cm-1 View
  • 17 439.84 cm-1 View
  • 18 468.41 cm-1 View
  • 19 495.81 cm-1 View
  • 20 511.64 cm-1 View
  • 21 547.22 cm-1 View
  • 22 609.83 cm-1 View
  • 23 683.22 cm-1 View
  • 24 722.66 cm-1 View
  • 25 755.41 cm-1 View
  • 26 776.71 cm-1 View
  • 27 871.92 cm-1 View
  • 28 873.80 cm-1 View
  • 29 883.20 cm-1 View
  • 30 944.89 cm-1 View
  • 31 954.63 cm-1 View
  • 32 959.41 cm-1 View
  • 33 975.57 cm-1 View
  • 34 989.70 cm-1 View
  • 35 991.55 cm-1 View
  • 36 1006.40 cm-1 View
  • 37 1033.68 cm-1 View
  • 38 1091.75 cm-1 View
  • 39 1120.99 cm-1 View
  • 40 1128.17 cm-1 View
  • 41 1143.88 cm-1 View
  • 42 1157.35 cm-1 View
  • 43 1200.52 cm-1 View
  • 44 1271.34 cm-1 View
  • 45 1285.54 cm-1 View
  • 46 1309.91 cm-1 View
  • 47 1336.84 cm-1 View
  • 48 1394.25 cm-1 View
  • 49 1397.28 cm-1 View
  • 50 1399.43 cm-1 View
  • 51 1401.89 cm-1 View
  • 52 1402.53 cm-1 View
  • 53 1404.62 cm-1 View
  • 54 1405.07 cm-1 View
  • 55 1410.85 cm-1 View
  • 56 1412.74 cm-1 View
  • 57 1414.26 cm-1 View
  • 58 1450.05 cm-1 View
  • 59 1487.05 cm-1 View
  • 60 1895.87 cm-1 View
  • 61 1897.64 cm-1 View
  • 62 1918.41 cm-1 View
  • 63 1922.84 cm-1 View
  • 64 1939.82 cm-1 View
  • 65 2796.01 cm-1 View
  • 66 2799.79 cm-1 View
  • 67 2996.32 cm-1 View
  • 68 3047.38 cm-1 View
  • 69 3048.33 cm-1 View
  • 70 3061.83 cm-1 View
  • 71 3065.92 cm-1 View
  • 72 3070.77 cm-1 View
  • 73 3082.35 cm-1 View
  • 74 3086.26 cm-1 View
  • 75 3148.38 cm-1 View
  • 76 3160.85 cm-1 View
  • 77 3170.00 cm-1 View
  • 78 3171.71 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy41.47kJ mol-1
Polar Solvation Energy-7.77kJ mol-1
Nonpolar Solvation Energy49.24kJ mol-1
Surface Area144.42Å2
Charge of Molecule0
Dipole1.38Debye