1-aminopropan-2-one
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 | 274.30 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 284.22 | 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 | 62.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 95.43 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.26 | J mol-1 K-1 |
| Rotational | 107.36 | J mol-1 K-1 |
| Vibrational | 57.62 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 327.25 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -186.47 | kJ mol-1 |
Molecular Orbitals
- 1 -551.64 eV View
- 2 -416.81 eV View
- 3 -302.58 eV View
- 4 -301.60 eV View
- 5 -300.71 eV View
- 6 -36.04 eV View
- 7 -30.93 eV View
- 8 -26.27 eV View
- 9 -24.04 eV View
- 10 -18.79 eV View
- 11 -16.97 eV View
- 12 -16.29 eV View
- 13 -15.67 eV View
- 14 -14.92 eV View
- 15 -14.60 eV View
- 16 -13.20 eV View
- 17 -13.07 eV View
- 18 -10.85 eV View
- 19 -9.47 eV View
- 20 -8.45 eV View
- 21 8.01 eV View
- 22 16.07 eV View
- 23 16.86 eV View
- 24 17.21 eV View
- 25 18.27 eV View
- 26 18.70 eV View
- 27 19.19 eV View
- 28 19.83 eV View
- 29 20.18 eV View
- 30 21.31 eV View
- 31 21.87 eV View
- 32 27.59 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 60.01 cm-1 View
- 2 130.06 cm-1 View
- 3 212.38 cm-1 View
- 4 291.52 cm-1 View
- 5 408.61 cm-1 View
- 6 520.84 cm-1 View
- 7 604.22 cm-1 View
- 8 859.62 cm-1 View
- 9 867.50 cm-1 View
- 10 988.67 cm-1 View
- 11 994.88 cm-1 View
- 12 1056.25 cm-1 View
- 13 1073.21 cm-1 View
- 14 1139.25 cm-1 View
- 15 1166.67 cm-1 View
- 16 1254.08 cm-1 View
- 17 1332.58 cm-1 View
- 18 1372.25 cm-1 View
- 19 1381.88 cm-1 View
- 20 1398.96 cm-1 View
- 21 1408.26 cm-1 View
- 22 1663.92 cm-1 View
- 23 1979.63 cm-1 View
- 24 2912.99 cm-1 View
- 25 2991.34 cm-1 View
- 26 3077.89 cm-1 View
- 27 3088.25 cm-1 View
- 28 3178.77 cm-1 View
- 29 3390.25 cm-1 View
- 30 3523.71 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.10 | kJ mol-1 |
| Polar Solvation Energy | -23.44 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.33 | kJ mol-1 |
| Surface Area | 84.50 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.34 | Debye |