Methyl hydrogen sulfate

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational176.31kJ mol-1
Total (Trans. + Rot. + Vib.)186.22kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational80.48J mol-1 K-1
Total (Trans. + Rot. + Vib.)113.74J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.59J mol-1 K-1
Rotational112.09J mol-1 K-1
Vibrational77.65J mol-1 K-1
Total (Trans. + Rot. + Vib.)357.33J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-752.75kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 61.88 cm-1 View
  • 2 118.60 cm-1 View
  • 3 192.68 cm-1 View
  • 4 222.93 cm-1 View
  • 5 276.10 cm-1 View
  • 6 299.46 cm-1 View
  • 7 370.35 cm-1 View
  • 8 407.74 cm-1 View
  • 9 438.30 cm-1 View
  • 10 694.42 cm-1 View
  • 11 833.15 cm-1 View
  • 12 898.01 cm-1 View
  • 13 951.58 cm-1 View
  • 14 1012.40 cm-1 View
  • 15 1069.39 cm-1 View
  • 16 1102.47 cm-1 View
  • 17 1179.19 cm-1 View
  • 18 1349.52 cm-1 View
  • 19 1354.39 cm-1 View
  • 20 1369.12 cm-1 View
  • 21 3052.98 cm-1 View
  • 22 3074.08 cm-1 View
  • 23 3134.48 cm-1 View
  • 24 3901.29 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-31.75kJ mol-1
Polar Solvation Energy-44.49kJ mol-1
Nonpolar Solvation Energy12.79kJ mol-1
Surface Area96.19Å2
Charge of Molecule0
Dipole3.12Debye