Methanethiol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational115.89kJ mol-1
Total (Trans. + Rot. + Vib.)125.81kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational18.27J mol-1 K-1
Total (Trans. + Rot. + Vib.)51.53J mol-1 K-1
Entropy
PropertyValueUnit
Translational157.03J mol-1 K-1
Rotational85.59J mol-1 K-1
Vibrational12.23J mol-1 K-1
Total (Trans. + Rot. + Vib.)254.85J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-23.11kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 191.03 cm-1 View
  • 2 751.68 cm-1 View
  • 3 823.49 cm-1 View
  • 4 924.37 cm-1 View
  • 5 1059.97 cm-1 View
  • 6 1334.30 cm-1 View
  • 7 1387.00 cm-1 View
  • 8 1395.38 cm-1 View
  • 9 1717.01 cm-1 View
  • 10 3105.05 cm-1 View
  • 11 3109.42 cm-1 View
  • 12 3205.11 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-10.09kJ mol-1
Polar Solvation Energy-18.87kJ mol-1
Nonpolar Solvation Energy8.78kJ mol-1
Surface Area74.18Å2
Charge of Molecule0
Dipole2.41Debye