(2s)-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 | 365.20 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 375.11 | 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 | 73.85 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 107.11 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.44 | J mol-1 K-1 |
| Rotational | 108.28 | J mol-1 K-1 |
| Vibrational | 54.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 325.19 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -287.54 | kJ mol-1 |
Molecular Orbitals
- 1 -550.78 eV View
- 2 -301.84 eV View
- 3 -300.56 eV View
- 4 -300.39 eV View
- 5 -300.23 eV View
- 6 -35.08 eV View
- 7 -27.89 eV View
- 8 -25.43 eV View
- 9 -22.65 eV View
- 10 -20.19 eV View
- 11 -17.18 eV View
- 12 -16.47 eV View
- 13 -15.26 eV View
- 14 -14.20 eV View
- 15 -13.65 eV View
- 16 -13.34 eV View
- 17 -13.07 eV View
- 18 -12.38 eV View
- 19 -11.81 eV View
- 20 -10.60 eV View
- 21 -9.24 eV View
- 22 15.08 eV View
- 23 15.83 eV View
- 24 16.59 eV View
- 25 17.77 eV View
- 26 18.46 eV View
- 27 18.88 eV View
- 28 19.30 eV View
- 29 19.51 eV View
- 30 20.22 eV View
- 31 20.98 eV View
- 32 21.13 eV View
- 33 21.49 eV View
- 34 22.04 eV View
- 35 22.93 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 137.39 cm-1 View
- 2 192.56 cm-1 View
- 3 239.72 cm-1 View
- 4 267.85 cm-1 View
- 5 345.81 cm-1 View
- 6 426.72 cm-1 View
- 7 449.76 cm-1 View
- 8 525.79 cm-1 View
- 9 834.15 cm-1 View
- 10 893.17 cm-1 View
- 11 989.23 cm-1 View
- 12 997.13 cm-1 View
- 13 1029.49 cm-1 View
- 14 1089.17 cm-1 View
- 15 1104.87 cm-1 View
- 16 1132.12 cm-1 View
- 17 1138.01 cm-1 View
- 18 1157.95 cm-1 View
- 19 1213.42 cm-1 View
- 20 1280.54 cm-1 View
- 21 1359.03 cm-1 View
- 22 1378.25 cm-1 View
- 23 1394.31 cm-1 View
- 24 1396.31 cm-1 View
- 25 1406.31 cm-1 View
- 26 1411.13 cm-1 View
- 27 1415.59 cm-1 View
- 28 1434.55 cm-1 View
- 29 1435.78 cm-1 View
- 30 2826.82 cm-1 View
- 31 2957.98 cm-1 View
- 32 3031.72 cm-1 View
- 33 3038.03 cm-1 View
- 34 3055.70 cm-1 View
- 35 3087.62 cm-1 View
- 36 3090.29 cm-1 View
- 37 3168.18 cm-1 View
- 38 3171.35 cm-1 View
- 39 3900.63 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 7.53 | kJ mol-1 |
| Polar Solvation Energy | -10.55 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.10 | kJ mol-1 |
| Surface Area | 87.53 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.79 | Debye |