2-methylpentan-3-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 | 457.61 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 467.52 | 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 | 107.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 140.95 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.19 | J mol-1 K-1 |
| Rotational | 116.48 | J mol-1 K-1 |
| Vibrational | 105.82 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 388.49 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -278.61 | kJ mol-1 |
Molecular Orbitals
- 1 -551.42 eV View
- 2 -302.31 eV View
- 3 -300.88 eV View
- 4 -300.77 eV View
- 5 -300.49 eV View
- 6 -300.40 eV View
- 7 -300.34 eV View
- 8 -35.95 eV View
- 9 -28.40 eV View
- 10 -27.25 eV View
- 11 -24.42 eV View
- 12 -23.43 eV View
- 13 -21.09 eV View
- 14 -18.11 eV View
- 15 -16.98 eV View
- 16 -16.16 eV View
- 17 -15.82 eV View
- 18 -14.75 eV View
- 19 -14.42 eV View
- 20 -13.92 eV View
- 21 -13.81 eV View
- 22 -13.08 eV View
- 23 -12.85 eV View
- 24 -12.35 eV View
- 25 -12.22 eV View
- 26 -11.83 eV View
- 27 -10.51 eV View
- 28 -8.42 eV View
- 29 8.19 eV View
- 30 15.14 eV View
- 31 16.48 eV View
- 32 16.98 eV View
- 33 17.63 eV View
- 34 18.04 eV View
- 35 18.64 eV View
- 36 18.75 eV View
- 37 19.21 eV View
- 38 19.78 eV View
- 39 20.18 eV View
- 40 20.33 eV View
- 41 20.58 eV View
- 42 20.81 eV View
- 43 21.00 eV View
- 44 21.18 eV View
- 45 21.73 eV View
- 46 22.48 eV View
- 47 28.09 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 39.55 cm-1 View
- 2 70.54 cm-1 View
- 3 178.07 cm-1 View
- 4 181.52 cm-1 View
- 5 192.85 cm-1 View
- 6 222.66 cm-1 View
- 7 267.46 cm-1 View
- 8 326.03 cm-1 View
- 9 345.73 cm-1 View
- 10 483.30 cm-1 View
- 11 598.68 cm-1 View
- 12 628.72 cm-1 View
- 13 836.86 cm-1 View
- 14 846.18 cm-1 View
- 15 954.73 cm-1 View
- 16 964.62 cm-1 View
- 17 977.96 cm-1 View
- 18 1019.47 cm-1 View
- 19 1034.86 cm-1 View
- 20 1082.84 cm-1 View
- 21 1096.28 cm-1 View
- 22 1122.51 cm-1 View
- 23 1129.39 cm-1 View
- 24 1136.90 cm-1 View
- 25 1170.26 cm-1 View
- 26 1287.10 cm-1 View
- 27 1304.76 cm-1 View
- 28 1357.86 cm-1 View
- 29 1372.32 cm-1 View
- 30 1399.27 cm-1 View
- 31 1399.95 cm-1 View
- 32 1401.09 cm-1 View
- 33 1404.26 cm-1 View
- 34 1407.71 cm-1 View
- 35 1409.83 cm-1 View
- 36 1410.85 cm-1 View
- 37 1411.44 cm-1 View
- 38 1427.14 cm-1 View
- 39 1977.19 cm-1 View
- 40 2870.20 cm-1 View
- 41 2946.56 cm-1 View
- 42 3024.86 cm-1 View
- 43 3080.13 cm-1 View
- 44 3080.56 cm-1 View
- 45 3081.75 cm-1 View
- 46 3083.76 cm-1 View
- 47 3085.30 cm-1 View
- 48 3085.96 cm-1 View
- 49 3176.18 cm-1 View
- 50 3179.91 cm-1 View
- 51 3182.94 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.52 | kJ mol-1 |
| Polar Solvation Energy | -13.95 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.48 | kJ mol-1 |
| Surface Area | 111.69 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.27 | Debye |