Methylsulfanylmethane
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 201.93 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 211.85 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 40.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 73.69 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 160.22 | J mol-1 K-1 |
| Rotational | 98.55 | J mol-1 K-1 |
| Vibrational | 38.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 296.79 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -45.77 | kJ mol-1 |
Molecular Orbitals
- 1 -2473.05 eV View
- 2 -301.26 eV View
- 3 -301.26 eV View
- 4 -238.40 eV View
- 5 -174.10 eV View
- 6 -174.02 eV View
- 7 -173.93 eV View
- 8 -27.67 eV View
- 9 -24.97 eV View
- 10 -20.73 eV View
- 11 -15.51 eV View
- 12 -15.44 eV View
- 13 -14.98 eV View
- 14 -14.56 eV View
- 15 -12.36 eV View
- 16 -10.20 eV View
- 17 -7.84 eV View
- 18 11.40 eV View
- 19 12.23 eV View
- 20 18.05 eV View
- 21 18.40 eV View
- 22 18.56 eV View
- 23 19.06 eV View
- 24 19.35 eV View
- 25 19.98 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 105.78 cm-1 View
- 2 130.06 cm-1 View
- 3 260.38 cm-1 View
- 4 723.73 cm-1 View
- 5 771.14 cm-1 View
- 6 884.34 cm-1 View
- 7 919.83 cm-1 View
- 8 923.78 cm-1 View
- 9 985.33 cm-1 View
- 10 1328.48 cm-1 View
- 11 1330.92 cm-1 View
- 12 1381.09 cm-1 View
- 13 1382.67 cm-1 View
- 14 1395.53 cm-1 View
- 15 1395.82 cm-1 View
- 16 3103.37 cm-1 View
- 17 3105.50 cm-1 View
- 18 3107.37 cm-1 View
- 19 3108.00 cm-1 View
- 20 3200.82 cm-1 View
- 21 3201.72 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -6.58 | kJ mol-1 |
| Polar Solvation Energy | -20.46 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.88 | kJ mol-1 |
| Surface Area | 82.08 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.49 | Debye |