methanimine methanimine
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 | 216.22 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 226.13 | 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 | 53.31 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 86.57 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.40 | J mol-1 K-1 |
| Rotational | 108.47 | J mol-1 K-1 |
| Vibrational | 92.21 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 360.08 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 173.69 | kJ mol-1 |
Molecular Orbitals
- 1 -417.31 eV View
- 2 -417.03 eV View
- 3 -301.61 eV View
- 4 -301.32 eV View
- 5 -31.47 eV View
- 6 -31.16 eV View
- 7 -21.94 eV View
- 8 -21.64 eV View
- 9 -17.31 eV View
- 10 -16.99 eV View
- 11 -15.18 eV View
- 12 -14.89 eV View
- 13 -10.61 eV View
- 14 -10.31 eV View
- 15 -9.61 eV View
- 16 -9.31 eV View
- 17 7.92 eV View
- 18 8.22 eV View
- 19 17.01 eV View
- 20 17.27 eV View
- 21 17.90 eV View
- 22 18.14 eV View
- 23 21.86 eV View
- 24 22.13 eV View
- 25 26.51 eV View
- 26 26.85 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 21.79 cm-1 View
- 2 27.46 cm-1 View
- 3 37.85 cm-1 View
- 4 47.58 cm-1 View
- 5 152.59 cm-1 View
- 6 173.40 cm-1 View
- 7 934.23 cm-1 View
- 8 941.93 cm-1 View
- 9 1016.01 cm-1 View
- 10 1019.28 cm-1 View
- 11 1036.64 cm-1 View
- 12 1040.60 cm-1 View
- 13 1227.88 cm-1 View
- 14 1231.75 cm-1 View
- 15 1275.93 cm-1 View
- 16 1280.46 cm-1 View
- 17 1860.89 cm-1 View
- 18 1865.07 cm-1 View
- 19 3044.18 cm-1 View
- 20 3053.07 cm-1 View
- 21 3074.51 cm-1 View
- 22 3081.02 cm-1 View
- 23 3454.40 cm-1 View
- 24 3468.83 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 46.13 | kJ mol-1 |
| Polar Solvation Energy | -18.41 | kJ mol-1 |
| Nonpolar Solvation Energy | 64.54 | kJ mol-1 |
| Surface Area | 97.64 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.37 | Debye |