Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational627.40kJ mol-1
Total (Trans. + Rot. + Vib.)637.32kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational164.78J mol-1 K-1
Total (Trans. + Rot. + Vib.)198.04J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.74J mol-1 K-1
Rotational125.50J mol-1 K-1
Vibrational152.11J mol-1 K-1
Total (Trans. + Rot. + Vib.)448.34J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-250.85kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 46.02 cm-1 View
  • 2 86.90 cm-1 View
  • 3 113.07 cm-1 View
  • 4 153.23 cm-1 View
  • 5 167.38 cm-1 View
  • 6 181.48 cm-1 View
  • 7 215.52 cm-1 View
  • 8 218.03 cm-1 View
  • 9 248.18 cm-1 View
  • 10 259.62 cm-1 View
  • 11 298.80 cm-1 View
  • 12 357.78 cm-1 View
  • 13 365.88 cm-1 View
  • 14 394.26 cm-1 View
  • 15 433.12 cm-1 View
  • 16 473.01 cm-1 View
  • 17 526.79 cm-1 View
  • 18 600.39 cm-1 View
  • 19 667.29 cm-1 View
  • 20 816.09 cm-1 View
  • 21 828.73 cm-1 View
  • 22 844.59 cm-1 View
  • 23 917.84 cm-1 View
  • 24 963.14 cm-1 View
  • 25 990.82 cm-1 View
  • 26 995.25 cm-1 View
  • 27 1011.65 cm-1 View
  • 28 1038.27 cm-1 View
  • 29 1053.68 cm-1 View
  • 30 1096.51 cm-1 View
  • 31 1118.76 cm-1 View
  • 32 1120.05 cm-1 View
  • 33 1132.85 cm-1 View
  • 34 1142.65 cm-1 View
  • 35 1149.03 cm-1 View
  • 36 1158.03 cm-1 View
  • 37 1187.80 cm-1 View
  • 38 1205.51 cm-1 View
  • 39 1248.83 cm-1 View
  • 40 1286.36 cm-1 View
  • 41 1309.19 cm-1 View
  • 42 1334.66 cm-1 View
  • 43 1358.53 cm-1 View
  • 44 1366.56 cm-1 View
  • 45 1375.58 cm-1 View
  • 46 1380.69 cm-1 View
  • 47 1395.54 cm-1 View
  • 48 1396.73 cm-1 View
  • 49 1406.39 cm-1 View
  • 50 1411.02 cm-1 View
  • 51 1414.78 cm-1 View
  • 52 1417.61 cm-1 View
  • 53 1430.75 cm-1 View
  • 54 1453.87 cm-1 View
  • 55 1661.09 cm-1 View
  • 56 1897.15 cm-1 View
  • 57 2789.42 cm-1 View
  • 58 2860.37 cm-1 View
  • 59 2954.43 cm-1 View
  • 60 3028.96 cm-1 View
  • 61 3030.82 cm-1 View
  • 62 3035.03 cm-1 View
  • 63 3052.19 cm-1 View
  • 64 3054.18 cm-1 View
  • 65 3060.44 cm-1 View
  • 66 3087.07 cm-1 View
  • 67 3127.93 cm-1 View
  • 68 3148.12 cm-1 View
  • 69 3169.16 cm-1 View
  • 70 3355.64 cm-1 View
  • 71 3364.61 cm-1 View
  • 72 3508.22 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-1.74kJ mol-1
Polar Solvation Energy-25.25kJ mol-1
Nonpolar Solvation Energy23.53kJ mol-1
Surface Area130.31Å2
Charge of Molecule0
Dipole3.87Debye