Butane
Molecule Viewer
Molecular Orbitals
- 1 -300.40 eV View
- 2 -300.39 eV View
- 3 -300.18 eV View
- 4 -300.18 eV View
- 5 -28.16 eV View
- 6 -25.67 eV View
- 7 -22.34 eV View
- 8 -20.49 eV View
- 9 -16.54 eV View
- 10 -15.13 eV View
- 11 -14.80 eV View
- 12 -14.58 eV View
- 13 -13.16 eV View
- 14 -12.50 eV View
- 15 -11.89 eV View
- 16 -11.50 eV View
- 17 -11.29 eV View
- 18 16.01 eV View
- 19 16.45 eV View
- 20 18.14 eV View
- 21 18.18 eV View
- 22 18.40 eV View
- 23 19.93 eV View
- 24 20.32 eV View
- 25 20.48 eV View
- 26 20.75 eV View
- 27 21.36 eV View
- 28 21.45 eV View
- 29 21.90 eV View
- 30 22.31 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 100.78 cm-1 View
- 2 187.98 cm-1 View
- 3 205.99 cm-1 View
- 4 303.47 cm-1 View
- 5 460.15 cm-1 View
- 6 776.99 cm-1 View
- 7 862.99 cm-1 View
- 8 912.29 cm-1 View
- 9 964.22 cm-1 View
- 10 999.70 cm-1 View
- 11 1114.80 cm-1 View
- 12 1118.21 cm-1 View
- 13 1144.20 cm-1 View
- 14 1145.82 cm-1 View
- 15 1145.88 cm-1 View
- 16 1166.56 cm-1 View
- 17 1257.13 cm-1 View
- 18 1361.96 cm-1 View
- 19 1385.65 cm-1 View
- 20 1409.19 cm-1 View
- 21 1409.21 cm-1 View
- 22 1411.50 cm-1 View
- 23 1412.08 cm-1 View
- 24 1417.13 cm-1 View
- 25 1421.39 cm-1 View
- 26 1439.58 cm-1 View
- 27 2946.41 cm-1 View
- 28 2959.72 cm-1 View
- 29 3033.10 cm-1 View
- 30 3035.74 cm-1 View
- 31 3078.48 cm-1 View
- 32 3078.69 cm-1 View
- 33 3084.52 cm-1 View
- 34 3084.60 cm-1 View
- 35 3181.63 cm-1 View
- 36 3181.65 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 17.83 | kJ mol-1 |
| Polar Solvation Energy | -0.34 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.14 | kJ mol-1 |
| Surface Area | 70.02 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |