methane oxidane
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 | 193.19 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 203.11 | 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 | 47.93 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 81.18 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 152.74 | J mol-1 K-1 |
| Rotational | 93.19 | J mol-1 K-1 |
| Vibrational | 66.49 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 312.41 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -287.21 | kJ mol-1 |
Molecular Orbitals
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 88.29 cm-1 View
- 2 96.17 cm-1 View
- 3 98.61 cm-1 View
- 4 163.07 cm-1 View
- 5 249.15 cm-1 View
- 6 436.12 cm-1 View
- 7 1359.39 cm-1 View
- 8 1362.48 cm-1 View
- 9 1385.61 cm-1 View
- 10 1447.84 cm-1 View
- 11 1490.10 cm-1 View
- 12 1742.95 cm-1 View
- 13 3200.07 cm-1 View
- 14 3207.27 cm-1 View
- 15 3208.69 cm-1 View
- 16 3308.02 cm-1 View
- 17 3861.44 cm-1 View
- 18 3987.83 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -1.94 | kJ mol-1 |
| Polar Solvation Energy | -13.81 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.87 | kJ mol-1 |
| Surface Area | 74.34 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.94 | Debye |