methanol 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 | 206.47 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 216.38 | 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 | 61.40 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 94.65 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.54 | J mol-1 K-1 |
| Rotational | 102.87 | J mol-1 K-1 |
| Vibrational | 100.71 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 361.12 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -446.43 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 33.07 cm-1 View
- 2 53.37 cm-1 View
- 3 90.14 cm-1 View
- 4 97.77 cm-1 View
- 5 134.92 cm-1 View
- 6 188.42 cm-1 View
- 7 351.80 cm-1 View
- 8 990.40 cm-1 View
- 9 1022.77 cm-1 View
- 10 1164.62 cm-1 View
- 11 1362.14 cm-1 View
- 12 1365.35 cm-1 View
- 13 1369.73 cm-1 View
- 14 1407.92 cm-1 View
- 15 1738.02 cm-1 View
- 16 3035.47 cm-1 View
- 17 3068.58 cm-1 View
- 18 3139.68 cm-1 View
- 19 3868.75 cm-1 View
- 20 3882.96 cm-1 View
- 21 3990.61 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -5.51 | kJ mol-1 |
| Polar Solvation Energy | -19.81 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.30 | kJ mol-1 |
| Surface Area | 83.49 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.53 | Debye |