Propan-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 | 226.76 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 236.68 | 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 | 44.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 77.81 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.39 | J mol-1 K-1 |
| Rotational | 100.97 | J mol-1 K-1 |
| Vibrational | 40.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 300.64 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -222.83 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 90.77 cm-1 View
- 2 118.45 cm-1 View
- 3 390.03 cm-1 View
- 4 522.43 cm-1 View
- 5 537.76 cm-1 View
- 6 891.73 cm-1 View
- 7 928.39 cm-1 View
- 8 943.23 cm-1 View
- 9 1033.72 cm-1 View
- 10 1060.30 cm-1 View
- 11 1274.57 cm-1 View
- 12 1373.97 cm-1 View
- 13 1384.99 cm-1 View
- 14 1391.97 cm-1 View
- 15 1396.30 cm-1 View
- 16 1399.34 cm-1 View
- 17 1411.32 cm-1 View
- 18 1978.83 cm-1 View
- 19 3082.72 cm-1 View
- 20 3083.51 cm-1 View
- 21 3089.64 cm-1 View
- 22 3091.22 cm-1 View
- 23 3180.47 cm-1 View
- 24 3181.37 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -3.20 | kJ mol-1 |
| Polar Solvation Energy | -16.44 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.25 | kJ mol-1 |
| Surface Area | 76.24 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.50 | Debye |