Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational289.79kJ mol-1
Total (Trans. + Rot. + Vib.)299.71kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational73.85J mol-1 K-1
Total (Trans. + Rot. + Vib.)107.11J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.92J mol-1 K-1
Rotational114.65J mol-1 K-1
Vibrational64.43J mol-1 K-1
Total (Trans. + Rot. + Vib.)349.00J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation838.04kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 112.97 cm-1 View
  • 2 153.29 cm-1 View
  • 3 160.27 cm-1 View
  • 4 231.85 cm-1 View
  • 5 277.06 cm-1 View
  • 6 314.99 cm-1 View
  • 7 491.35 cm-1 View
  • 8 580.90 cm-1 View
  • 9 747.29 cm-1 View
  • 10 898.99 cm-1 View
  • 11 965.04 cm-1 View
  • 12 974.56 cm-1 View
  • 13 988.72 cm-1 View
  • 14 1102.02 cm-1 View
  • 15 1130.98 cm-1 View
  • 16 1181.78 cm-1 View
  • 17 1206.78 cm-1 View
  • 18 1228.42 cm-1 View
  • 19 1287.12 cm-1 View
  • 20 1298.53 cm-1 View
  • 21 1355.21 cm-1 View
  • 22 1362.47 cm-1 View
  • 23 1378.34 cm-1 View
  • 24 1391.91 cm-1 View
  • 25 1548.98 cm-1 View
  • 26 2934.53 cm-1 View
  • 27 2937.48 cm-1 View
  • 28 2951.08 cm-1 View
  • 29 3033.20 cm-1 View
  • 30 3063.68 cm-1 View
  • 31 3071.76 cm-1 View
  • 32 3099.71 cm-1 View
  • 33 3160.00 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-179.35kJ mol-1
Polar Solvation Energy-207.57kJ mol-1
Nonpolar Solvation Energy28.26kJ mol-1
Surface Area112.16Å2
Charge of Molecule1
Dipole8.10Debye