2-methylbutane
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 | 458.75 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 468.67 | 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 | 114.82 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 148.08 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.74 | J mol-1 K-1 |
| Rotational | 116.27 | J mol-1 K-1 |
| Vibrational | 120.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 401.70 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -285.62 | kJ mol-1 |
Molecular Orbitals
- 1 -532.11 eV View
- 2 -296.07 eV View
- 3 -295.94 eV View
- 4 -295.90 eV View
- 5 -295.47 eV View
- 6 -293.25 eV View
- 7 -23.95 eV View
- 8 -21.18 eV View
- 9 -20.06 eV View
- 10 -19.72 eV View
- 11 -17.32 eV View
- 12 -14.75 eV View
- 13 -11.75 eV View
- 14 -11.30 eV View
- 15 -10.61 eV View
- 16 -9.97 eV View
- 17 -9.46 eV View
- 18 -9.27 eV View
- 19 -8.22 eV View
- 20 -7.70 eV View
- 21 -6.57 eV View
- 22 -6.15 eV View
- 23 -5.58 eV View
- 24 -1.05 eV View
- 25 3.48 eV View
- 26 4.14 eV View
- 27 20.43 eV View
- 28 21.08 eV View
- 29 21.18 eV View
- 30 22.64 eV View
- 31 22.94 eV View
- 32 23.46 eV View
- 33 23.82 eV View
- 34 24.41 eV View
- 35 24.72 eV View
- 36 24.86 eV View
- 37 25.24 eV View
- 38 25.33 eV View
- 39 26.70 eV View
- 40 27.37 eV View
- 41 27.60 eV View
- 42 27.68 eV View
- 43 31.81 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 44.73 cm-1 View
- 2 69.02 cm-1 View
- 3 102.17 cm-1 View
- 4 149.14 cm-1 View
- 5 174.51 cm-1 View
- 6 185.26 cm-1 View
- 7 206.33 cm-1 View
- 8 264.09 cm-1 View
- 9 392.76 cm-1 View
- 10 415.58 cm-1 View
- 11 466.19 cm-1 View
- 12 500.04 cm-1 View
- 13 547.24 cm-1 View
- 14 857.72 cm-1 View
- 15 897.96 cm-1 View
- 16 948.89 cm-1 View
- 17 968.83 cm-1 View
- 18 981.97 cm-1 View
- 19 1018.37 cm-1 View
- 20 1037.63 cm-1 View
- 21 1127.17 cm-1 View
- 22 1138.72 cm-1 View
- 23 1150.53 cm-1 View
- 24 1177.43 cm-1 View
- 25 1197.73 cm-1 View
- 26 1253.65 cm-1 View
- 27 1299.74 cm-1 View
- 28 1315.94 cm-1 View
- 29 1355.95 cm-1 View
- 30 1385.79 cm-1 View
- 31 1392.19 cm-1 View
- 32 1403.59 cm-1 View
- 33 1407.49 cm-1 View
- 34 1409.09 cm-1 View
- 35 1412.08 cm-1 View
- 36 1417.00 cm-1 View
- 37 1422.04 cm-1 View
- 38 1425.23 cm-1 View
- 39 2071.13 cm-1 View
- 40 2831.25 cm-1 View
- 41 2965.99 cm-1 View
- 42 3034.80 cm-1 View
- 43 3063.80 cm-1 View
- 44 3067.63 cm-1 View
- 45 3068.05 cm-1 View
- 46 3071.85 cm-1 View
- 47 3075.80 cm-1 View
- 48 3160.63 cm-1 View
- 49 3163.93 cm-1 View
- 50 3167.80 cm-1 View
- 51 3955.31 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -268.48 | kJ mol-1 |
| Polar Solvation Energy | -292.73 | kJ mol-1 |
| Nonpolar Solvation Energy | 24.24 | kJ mol-1 |
| Surface Area | 104.11 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 9.88 | Debye |