Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational362.67kJ mol-1
Total (Trans. + Rot. + Vib.)372.59kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational90.78J mol-1 K-1
Total (Trans. + Rot. + Vib.)124.03J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.28J mol-1 K-1
Rotational116.27J mol-1 K-1
Vibrational66.28J mol-1 K-1
Total (Trans. + Rot. + Vib.)347.83J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation988.81kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 140.41 cm-1 View
  • 2 149.86 cm-1 View
  • 3 150.11 cm-1 View
  • 4 320.39 cm-1 View
  • 5 320.53 cm-1 View
  • 6 410.30 cm-1 View
  • 7 469.29 cm-1 View
  • 8 550.47 cm-1 View
  • 9 550.53 cm-1 View
  • 10 578.89 cm-1 View
  • 11 578.91 cm-1 View
  • 12 783.48 cm-1 View
  • 13 857.39 cm-1 View
  • 14 939.02 cm-1 View
  • 15 939.08 cm-1 View
  • 16 982.45 cm-1 View
  • 17 997.34 cm-1 View
  • 18 997.36 cm-1 View
  • 19 1099.44 cm-1 View
  • 20 1099.49 cm-1 View
  • 21 1105.54 cm-1 View
  • 22 1115.95 cm-1 View
  • 23 1244.84 cm-1 View
  • 24 1244.91 cm-1 View
  • 25 1256.77 cm-1 View
  • 26 1356.08 cm-1 View
  • 27 1356.34 cm-1 View
  • 28 1368.02 cm-1 View
  • 29 1536.02 cm-1 View
  • 30 1536.04 cm-1 View
  • 31 1729.22 cm-1 View
  • 32 1729.31 cm-1 View
  • 33 1780.88 cm-1 View
  • 34 2954.71 cm-1 View
  • 35 2957.97 cm-1 View
  • 36 2958.09 cm-1 View
  • 37 3051.23 cm-1 View
  • 38 3052.23 cm-1 View
  • 39 3052.47 cm-1 View
  • 40 3113.21 cm-1 View
  • 41 3113.30 cm-1 View
  • 42 3113.64 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-168.17kJ mol-1
Polar Solvation Energy-183.49kJ mol-1
Nonpolar Solvation Energy15.30kJ mol-1
Surface Area113.40Å2
Charge of Molecule1
Dipole0.04Debye