Butan-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 | 300.98 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 310.90 | 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 | 56.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 89.84 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.09 | J mol-1 K-1 |
| Rotational | 107.30 | J mol-1 K-1 |
| Vibrational | 46.19 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 315.58 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -238.72 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 33.12 cm-1 View
- 2 73.56 cm-1 View
- 3 178.20 cm-1 View
- 4 265.51 cm-1 View
- 5 424.08 cm-1 View
- 6 514.25 cm-1 View
- 7 578.60 cm-1 View
- 8 805.67 cm-1 View
- 9 854.71 cm-1 View
- 10 955.79 cm-1 View
- 11 1009.18 cm-1 View
- 12 1060.67 cm-1 View
- 13 1065.76 cm-1 View
- 14 1130.47 cm-1 View
- 15 1137.12 cm-1 View
- 16 1174.89 cm-1 View
- 17 1345.21 cm-1 View
- 18 1368.53 cm-1 View
- 19 1381.63 cm-1 View
- 20 1394.10 cm-1 View
- 21 1400.71 cm-1 View
- 22 1410.94 cm-1 View
- 23 1415.27 cm-1 View
- 24 1431.34 cm-1 View
- 25 1974.59 cm-1 View
- 26 2949.02 cm-1 View
- 27 3028.42 cm-1 View
- 28 3083.78 cm-1 View
- 29 3084.11 cm-1 View
- 30 3086.15 cm-1 View
- 31 3087.89 cm-1 View
- 32 3183.61 cm-1 View
- 33 3183.82 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -1.19 | kJ mol-1 |
| Polar Solvation Energy | -15.65 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.46 | kJ mol-1 |
| Surface Area | 95.13 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.37 | Debye |