1-azabicyclo[2.2.2]octane
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 | 507.78 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 517.70 | 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 | 90.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 123.28 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.49 | J mol-1 K-1 |
| Rotational | 114.98 | J mol-1 K-1 |
| Vibrational | 48.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 330.52 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -54.93 | kJ mol-1 |
Molecular Orbitals
- 1 -416.53 eV View
- 2 -301.05 eV View
- 3 -301.05 eV View
- 4 -301.04 eV View
- 5 -300.66 eV View
- 6 -300.35 eV View
- 7 -300.35 eV View
- 8 -300.35 eV View
- 9 -32.06 eV View
- 10 -27.90 eV View
- 11 -26.36 eV View
- 12 -26.36 eV View
- 13 -21.73 eV View
- 14 -21.73 eV View
- 15 -21.54 eV View
- 16 -17.88 eV View
- 17 -17.04 eV View
- 18 -16.87 eV View
- 19 -16.87 eV View
- 20 -14.48 eV View
- 21 -13.69 eV View
- 22 -13.69 eV View
- 23 -13.36 eV View
- 24 -13.36 eV View
- 25 -12.75 eV View
- 26 -12.74 eV View
- 27 -12.19 eV View
- 28 -11.54 eV View
- 29 -10.36 eV View
- 30 -10.36 eV View
- 31 -7.41 eV View
- 32 14.69 eV View
- 33 14.69 eV View
- 34 14.81 eV View
- 35 16.39 eV View
- 36 17.27 eV View
- 37 17.27 eV View
- 38 17.74 eV View
- 39 18.16 eV View
- 40 18.49 eV View
- 41 18.49 eV View
- 42 18.62 eV View
- 43 18.62 eV View
- 44 20.14 eV View
- 45 20.60 eV View
- 46 20.60 eV View
- 47 20.83 eV View
- 48 21.46 eV View
- 49 21.46 eV View
- 50 22.32 eV View
- 51 22.74 eV View
- 52 23.19 eV View
- 53 23.20 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 122.14 cm-1 View
- 2 308.04 cm-1 View
- 3 308.67 cm-1 View
- 4 428.28 cm-1 View
- 5 428.46 cm-1 View
- 6 562.62 cm-1 View
- 7 562.75 cm-1 View
- 8 646.61 cm-1 View
- 9 796.17 cm-1 View
- 10 827.32 cm-1 View
- 11 827.54 cm-1 View
- 12 867.87 cm-1 View
- 13 931.32 cm-1 View
- 14 939.04 cm-1 View
- 15 957.17 cm-1 View
- 16 957.53 cm-1 View
- 17 957.63 cm-1 View
- 18 976.28 cm-1 View
- 19 976.37 cm-1 View
- 20 1042.69 cm-1 View
- 21 1050.40 cm-1 View
- 22 1050.53 cm-1 View
- 23 1079.57 cm-1 View
- 24 1100.18 cm-1 View
- 25 1102.59 cm-1 View
- 26 1102.70 cm-1 View
- 27 1131.30 cm-1 View
- 28 1131.42 cm-1 View
- 29 1154.17 cm-1 View
- 30 1154.25 cm-1 View
- 31 1277.31 cm-1 View
- 32 1277.43 cm-1 View
- 33 1288.09 cm-1 View
- 34 1288.13 cm-1 View
- 35 1313.11 cm-1 View
- 36 1334.76 cm-1 View
- 37 1334.83 cm-1 View
- 38 1337.29 cm-1 View
- 39 1393.16 cm-1 View
- 40 1393.25 cm-1 View
- 41 1406.11 cm-1 View
- 42 1413.92 cm-1 View
- 43 1414.01 cm-1 View
- 44 1423.00 cm-1 View
- 45 2927.47 cm-1 View
- 46 2951.29 cm-1 View
- 47 2952.67 cm-1 View
- 48 2953.08 cm-1 View
- 49 2975.54 cm-1 View
- 50 2977.10 cm-1 View
- 51 2977.49 cm-1 View
- 52 3023.04 cm-1 View
- 53 3024.42 cm-1 View
- 54 3024.77 cm-1 View
- 55 3053.53 cm-1 View
- 56 3054.45 cm-1 View
- 57 3054.87 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 6.93 | kJ mol-1 |
| Polar Solvation Energy | -8.32 | kJ mol-1 |
| Nonpolar Solvation Energy | 15.26 | kJ mol-1 |
| Surface Area | 104.87 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.71 | Debye |