(2r)-butan-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 | 365.83 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 375.75 | 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 | 74.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 107.73 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.44 | J mol-1 K-1 |
| Rotational | 108.34 | J mol-1 K-1 |
| Vibrational | 60.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 331.36 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -294.60 | kJ mol-1 |
Molecular Orbitals
- 1 -550.83 eV View
- 2 -301.86 eV View
- 3 -300.57 eV View
- 4 -300.33 eV View
- 5 -300.26 eV View
- 6 -35.17 eV View
- 7 -27.71 eV View
- 8 -25.71 eV View
- 9 -22.44 eV View
- 10 -20.64 eV View
- 11 -16.41 eV View
- 12 -16.12 eV View
- 13 -15.52 eV View
- 14 -14.76 eV View
- 15 -14.25 eV View
- 16 -13.07 eV View
- 17 -12.85 eV View
- 18 -12.32 eV View
- 19 -11.99 eV View
- 20 -10.60 eV View
- 21 -9.23 eV View
- 22 14.97 eV View
- 23 15.79 eV View
- 24 17.48 eV View
- 25 17.78 eV View
- 26 18.19 eV View
- 27 18.75 eV View
- 28 19.90 eV View
- 29 19.98 eV View
- 30 20.16 eV View
- 31 20.33 eV View
- 32 21.10 eV View
- 33 21.34 eV View
- 34 21.70 eV View
- 35 22.45 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 85.34 cm-1 View
- 2 179.32 cm-1 View
- 3 188.41 cm-1 View
- 4 275.19 cm-1 View
- 5 344.91 cm-1 View
- 6 395.56 cm-1 View
- 7 485.24 cm-1 View
- 8 534.33 cm-1 View
- 9 828.92 cm-1 View
- 10 885.07 cm-1 View
- 11 972.67 cm-1 View
- 12 991.56 cm-1 View
- 13 1031.83 cm-1 View
- 14 1066.69 cm-1 View
- 15 1103.68 cm-1 View
- 16 1128.59 cm-1 View
- 17 1136.90 cm-1 View
- 18 1148.56 cm-1 View
- 19 1223.21 cm-1 View
- 20 1338.26 cm-1 View
- 21 1342.34 cm-1 View
- 22 1387.28 cm-1 View
- 23 1397.46 cm-1 View
- 24 1405.28 cm-1 View
- 25 1406.56 cm-1 View
- 26 1407.94 cm-1 View
- 27 1410.18 cm-1 View
- 28 1411.67 cm-1 View
- 29 1428.59 cm-1 View
- 30 2912.38 cm-1 View
- 31 2954.78 cm-1 View
- 32 3034.27 cm-1 View
- 33 3079.72 cm-1 View
- 34 3082.17 cm-1 View
- 35 3084.72 cm-1 View
- 36 3090.81 cm-1 View
- 37 3180.98 cm-1 View
- 38 3183.93 cm-1 View
- 39 3882.22 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 8.44 | kJ mol-1 |
| Polar Solvation Energy | -9.66 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.10 | kJ mol-1 |
| Surface Area | 85.60 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.82 | Debye |