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 | 303.37 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 313.29 | 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 | 64.96 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 98.22 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.09 | J mol-1 K-1 |
| Rotational | 107.31 | J mol-1 K-1 |
| Vibrational | 64.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 334.24 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -240.07 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 42.50 cm-1 View
- 2 107.36 cm-1 View
- 3 177.92 cm-1 View
- 4 263.38 cm-1 View
- 5 412.12 cm-1 View
- 6 511.65 cm-1 View
- 7 585.43 cm-1 View
- 8 803.93 cm-1 View
- 9 864.01 cm-1 View
- 10 947.65 cm-1 View
- 11 985.58 cm-1 View
- 12 1051.86 cm-1 View
- 13 1067.41 cm-1 View
- 14 1127.22 cm-1 View
- 15 1138.68 cm-1 View
- 16 1189.69 cm-1 View
- 17 1345.60 cm-1 View
- 18 1370.91 cm-1 View
- 19 1383.55 cm-1 View
- 20 1395.75 cm-1 View
- 21 1401.05 cm-1 View
- 22 1403.42 cm-1 View
- 23 1410.78 cm-1 View
- 24 1429.25 cm-1 View
- 25 1977.47 cm-1 View
- 26 2950.58 cm-1 View
- 27 3030.21 cm-1 View
- 28 3083.86 cm-1 View
- 29 3084.19 cm-1 View
- 30 3085.98 cm-1 View
- 31 3091.11 cm-1 View
- 32 3182.15 cm-1 View
- 33 3183.50 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -0.93 | kJ mol-1 |
| Polar Solvation Energy | -15.40 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.46 | kJ mol-1 |
| Surface Area | 89.97 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.43 | Debye |