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 | 44.54 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 77.80 | 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 | 40.08 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 300.44 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -222.86 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 92.10 cm-1 View
- 2 119.61 cm-1 View
- 3 390.20 cm-1 View
- 4 522.24 cm-1 View
- 5 537.69 cm-1 View
- 6 892.12 cm-1 View
- 7 928.50 cm-1 View
- 8 943.22 cm-1 View
- 9 1033.71 cm-1 View
- 10 1060.35 cm-1 View
- 11 1274.55 cm-1 View
- 12 1373.95 cm-1 View
- 13 1385.01 cm-1 View
- 14 1391.92 cm-1 View
- 15 1396.25 cm-1 View
- 16 1399.35 cm-1 View
- 17 1411.40 cm-1 View
- 18 1978.72 cm-1 View
- 19 3082.70 cm-1 View
- 20 3083.23 cm-1 View
- 21 3089.74 cm-1 View
- 22 3091.19 cm-1 View
- 23 3180.63 cm-1 View
- 24 3180.99 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -8.32 | kJ mol-1 |
| Polar Solvation Energy | -16.68 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.32 | kJ mol-1 |
| Surface Area | 86.43 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.51 | Debye |