methanamine 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 | 239.26 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 249.17 | 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 | 64.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 97.43 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.30 | J mol-1 K-1 |
| Rotational | 103.32 | J mol-1 K-1 |
| Vibrational | 96.31 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 356.93 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -248.96 | kJ mol-1 |
Molecular Orbitals
- 1 -550.85 eV View
- 2 -416.21 eV View
- 3 -300.98 eV View
- 4 -34.71 eV View
- 5 -30.21 eV View
- 6 -23.12 eV View
- 7 -17.29 eV View
- 8 -16.65 eV View
- 9 -14.99 eV View
- 10 -13.59 eV View
- 11 -12.94 eV View
- 12 -12.38 eV View
- 13 -10.82 eV View
- 14 -8.48 eV View
- 15 16.00 eV View
- 16 17.55 eV View
- 17 18.16 eV View
- 18 18.63 eV View
- 19 20.02 eV View
- 20 20.55 eV View
- 21 21.02 eV View
- 22 21.85 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 38.31 cm-1 View
- 2 79.82 cm-1 View
- 3 94.52 cm-1 View
- 4 110.33 cm-1 View
- 5 151.49 cm-1 View
- 6 190.90 cm-1 View
- 7 265.61 cm-1 View
- 8 920.50 cm-1 View
- 9 960.38 cm-1 View
- 10 1103.74 cm-1 View
- 11 1183.08 cm-1 View
- 12 1184.40 cm-1 View
- 13 1380.19 cm-1 View
- 14 1385.75 cm-1 View
- 15 1389.85 cm-1 View
- 16 1674.69 cm-1 View
- 17 1741.24 cm-1 View
- 18 3022.78 cm-1 View
- 19 3061.61 cm-1 View
- 20 3138.53 cm-1 View
- 21 3381.69 cm-1 View
- 22 3518.03 cm-1 View
- 23 3862.77 cm-1 View
- 24 3984.84 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 35.68 | kJ mol-1 |
| Polar Solvation Energy | -19.13 | kJ mol-1 |
| Nonpolar Solvation Energy | 54.80 | kJ mol-1 |
| Surface Area | 82.22 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.19 | Debye |