Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational483.55kJ mol-1
Total (Trans. + Rot. + Vib.)493.47kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational115.13J mol-1 K-1
Total (Trans. + Rot. + Vib.)148.39J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.74J mol-1 K-1
Rotational123.41J mol-1 K-1
Vibrational83.92J mol-1 K-1
Total (Trans. + Rot. + Vib.)377.07J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation235.86kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 86.74 cm-1 View
  • 2 127.38 cm-1 View
  • 3 163.90 cm-1 View
  • 4 240.27 cm-1 View
  • 5 293.30 cm-1 View
  • 6 327.62 cm-1 View
  • 7 385.24 cm-1 View
  • 8 449.24 cm-1 View
  • 9 478.31 cm-1 View
  • 10 555.23 cm-1 View
  • 11 588.52 cm-1 View
  • 12 637.39 cm-1 View
  • 13 706.98 cm-1 View
  • 14 772.47 cm-1 View
  • 15 841.20 cm-1 View
  • 16 865.32 cm-1 View
  • 17 912.31 cm-1 View
  • 18 930.70 cm-1 View
  • 19 946.63 cm-1 View
  • 20 964.93 cm-1 View
  • 21 999.34 cm-1 View
  • 22 1009.66 cm-1 View
  • 23 1022.74 cm-1 View
  • 24 1066.05 cm-1 View
  • 25 1090.10 cm-1 View
  • 26 1093.36 cm-1 View
  • 27 1127.56 cm-1 View
  • 28 1136.06 cm-1 View
  • 29 1142.51 cm-1 View
  • 30 1150.32 cm-1 View
  • 31 1168.24 cm-1 View
  • 32 1198.68 cm-1 View
  • 33 1212.73 cm-1 View
  • 34 1282.67 cm-1 View
  • 35 1298.35 cm-1 View
  • 36 1318.18 cm-1 View
  • 37 1343.95 cm-1 View
  • 38 1371.11 cm-1 View
  • 39 1384.09 cm-1 View
  • 40 1401.36 cm-1 View
  • 41 1404.96 cm-1 View
  • 42 1408.07 cm-1 View
  • 43 1422.32 cm-1 View
  • 44 1480.87 cm-1 View
  • 45 1953.04 cm-1 View
  • 46 2475.86 cm-1 View
  • 47 2955.11 cm-1 View
  • 48 2958.84 cm-1 View
  • 49 2964.09 cm-1 View
  • 50 2969.29 cm-1 View
  • 51 2974.09 cm-1 View
  • 52 3035.08 cm-1 View
  • 53 3037.40 cm-1 View
  • 54 3043.76 cm-1 View
  • 55 3046.12 cm-1 View
  • 56 3049.95 cm-1 View
  • 57 3102.04 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy12.94kJ mol-1
Polar Solvation Energy-15.45kJ mol-1
Nonpolar Solvation Energy28.38kJ mol-1
Surface Area129.77Å2
Charge of Molecule0
Dipole5.20Debye