2-methylpropan-2-ol
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 | 366.83 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 376.75 | 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 | 78.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 111.81 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.44 | J mol-1 K-1 |
| Rotational | 107.08 | J mol-1 K-1 |
| Vibrational | 58.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 327.65 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -297.93 | kJ mol-1 |
Molecular Orbitals
- 1 -550.74 eV View
- 2 -302.05 eV View
- 3 -300.30 eV View
- 4 -300.30 eV View
- 5 -300.21 eV View
- 6 -35.10 eV View
- 7 -27.71 eV View
- 8 -24.48 eV View
- 9 -24.41 eV View
- 10 -19.59 eV View
- 11 -16.64 eV View
- 12 -15.77 eV View
- 13 -15.70 eV View
- 14 -14.35 eV View
- 15 -14.07 eV View
- 16 -13.26 eV View
- 17 -13.17 eV View
- 18 -12.42 eV View
- 19 -12.03 eV View
- 20 -10.56 eV View
- 21 -9.28 eV View
- 22 14.66 eV View
- 23 16.27 eV View
- 24 16.61 eV View
- 25 18.57 eV View
- 26 18.89 eV View
- 27 19.09 eV View
- 28 19.32 eV View
- 29 20.16 eV View
- 30 20.25 eV View
- 31 20.60 eV View
- 32 20.78 eV View
- 33 21.30 eV View
- 34 21.43 eV View
- 35 22.19 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 154.14 cm-1 View
- 2 191.76 cm-1 View
- 3 196.91 cm-1 View
- 4 299.37 cm-1 View
- 5 345.86 cm-1 View
- 6 354.34 cm-1 View
- 7 451.94 cm-1 View
- 8 497.53 cm-1 View
- 9 502.70 cm-1 View
- 10 883.22 cm-1 View
- 11 950.46 cm-1 View
- 12 955.63 cm-1 View
- 13 964.61 cm-1 View
- 14 970.15 cm-1 View
- 15 1003.07 cm-1 View
- 16 1006.12 cm-1 View
- 17 1196.12 cm-1 View
- 18 1270.88 cm-1 View
- 19 1333.60 cm-1 View
- 20 1379.84 cm-1 View
- 21 1392.17 cm-1 View
- 22 1401.67 cm-1 View
- 23 1403.08 cm-1 View
- 24 1403.24 cm-1 View
- 25 1405.56 cm-1 View
- 26 1409.70 cm-1 View
- 27 1413.22 cm-1 View
- 28 1414.81 cm-1 View
- 29 1442.62 cm-1 View
- 30 3082.41 cm-1 View
- 31 3082.76 cm-1 View
- 32 3086.87 cm-1 View
- 33 3087.35 cm-1 View
- 34 3088.69 cm-1 View
- 35 3089.45 cm-1 View
- 36 3180.21 cm-1 View
- 37 3181.64 cm-1 View
- 38 3181.99 cm-1 View
- 39 3899.41 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 4.20 | kJ mol-1 |
| Polar Solvation Energy | -9.86 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.00 | kJ mol-1 |
| Surface Area | 90.19 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.83 | Debye |