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 | 221.50 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 231.42 | 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 | 28.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 61.55 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.39 | J mol-1 K-1 |
| Rotational | 101.00 | J mol-1 K-1 |
| Vibrational | 11.99 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 272.38 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -218.79 | kJ mol-1 |
Molecular Orbitals
- 1 -551.49 eV View
- 2 -302.62 eV View
- 3 -300.64 eV View
- 4 -300.64 eV View
- 5 -35.97 eV View
- 6 -26.80 eV View
- 7 -24.94 eV View
- 8 -18.64 eV View
- 9 -16.00 eV View
- 10 -15.71 eV View
- 11 -15.65 eV View
- 12 -14.27 eV View
- 13 -13.21 eV View
- 14 -13.21 eV View
- 15 -10.58 eV View
- 16 -8.83 eV View
- 17 7.94 eV View
- 18 16.34 eV View
- 19 18.02 eV View
- 20 18.54 eV View
- 21 18.72 eV View
- 22 19.47 eV View
- 23 19.68 eV View
- 24 20.54 eV View
- 25 22.30 eV View
- 26 27.48 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 17.69 cm-1 View
- 2 29.89 cm-1 View
- 3 385.00 cm-1 View
- 4 530.05 cm-1 View
- 5 536.45 cm-1 View
- 6 896.43 cm-1 View
- 7 903.81 cm-1 View
- 8 976.74 cm-1 View
- 9 1022.74 cm-1 View
- 10 1064.14 cm-1 View
- 11 1255.56 cm-1 View
- 12 1367.38 cm-1 View
- 13 1381.77 cm-1 View
- 14 1391.84 cm-1 View
- 15 1393.99 cm-1 View
- 16 1396.94 cm-1 View
- 17 1417.92 cm-1 View
- 18 1972.67 cm-1 View
- 19 3082.29 cm-1 View
- 20 3083.17 cm-1 View
- 21 3084.28 cm-1 View
- 22 3086.86 cm-1 View
- 23 3181.32 cm-1 View
- 24 3182.94 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -6.68 | kJ mol-1 |
| Polar Solvation Energy | -16.31 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.61 | kJ mol-1 |
| Surface Area | 73.75 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.31 | Debye |