oxidane methanamine
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 | 239.23 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 249.15 | 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 | 64.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 97.70 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.30 | J mol-1 K-1 |
| Rotational | 103.22 | J mol-1 K-1 |
| Vibrational | 98.09 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 358.61 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -249.30 | kJ mol-1 |
Molecular Orbitals
- 1 -550.84 eV View
- 2 -416.17 eV View
- 3 -300.95 eV View
- 4 -34.72 eV View
- 5 -30.17 eV View
- 6 -23.08 eV View
- 7 -17.30 eV View
- 8 -16.61 eV View
- 9 -14.95 eV View
- 10 -13.55 eV View
- 11 -12.89 eV View
- 12 -12.38 eV View
- 13 -10.82 eV View
- 14 -8.44 eV View
- 15 15.98 eV View
- 16 17.60 eV View
- 17 18.19 eV View
- 18 18.70 eV View
- 19 20.05 eV View
- 20 20.57 eV View
- 21 21.05 eV View
- 22 21.89 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
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| Balls |
|
- 1 43.57 cm-1 View
- 2 80.77 cm-1 View
- 3 87.97 cm-1 View
- 4 108.00 cm-1 View
- 5 139.89 cm-1 View
- 6 159.66 cm-1 View
- 7 260.33 cm-1 View
- 8 920.14 cm-1 View
- 9 961.06 cm-1 View
- 10 1103.98 cm-1 View
- 11 1183.25 cm-1 View
- 12 1184.18 cm-1 View
- 13 1380.80 cm-1 View
- 14 1385.05 cm-1 View
- 15 1390.74 cm-1 View
- 16 1674.57 cm-1 View
- 17 1740.34 cm-1 View
- 18 3024.47 cm-1 View
- 19 3057.97 cm-1 View
- 20 3136.18 cm-1 View
- 21 3385.04 cm-1 View
- 22 3521.56 cm-1 View
- 23 3866.41 cm-1 View
- 24 3988.44 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 36.36 | kJ mol-1 |
| Polar Solvation Energy | -18.24 | kJ mol-1 |
| Nonpolar Solvation Energy | 54.59 | kJ mol-1 |
| Surface Area | 76.50 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.34 | Debye |