Propan-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 | 289.15 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 299.07 | 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 | 54.07 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 87.33 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.82 | J mol-1 K-1 |
| Rotational | 102.08 | J mol-1 K-1 |
| Vibrational | 37.93 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 299.83 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -274.89 | kJ mol-1 |
Molecular Orbitals
- 1 -550.83 eV View
- 2 -301.96 eV View
- 3 -300.38 eV View
- 4 -300.38 eV View
- 5 -35.17 eV View
- 6 -27.13 eV View
- 7 -24.48 eV View
- 8 -20.85 eV View
- 9 -16.58 eV View
- 10 -15.93 eV View
- 11 -15.03 eV View
- 12 -14.27 eV View
- 13 -13.92 eV View
- 14 -12.75 eV View
- 15 -12.36 eV View
- 16 -10.70 eV View
- 17 -9.34 eV View
- 18 15.04 eV View
- 19 16.22 eV View
- 20 17.78 eV View
- 21 18.65 eV View
- 22 19.12 eV View
- 23 19.13 eV View
- 24 20.12 eV View
- 25 20.51 eV View
- 26 21.00 eV View
- 27 21.25 eV View
- 28 22.11 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 166.43 cm-1 View
- 2 190.12 cm-1 View
- 3 358.11 cm-1 View
- 4 386.78 cm-1 View
- 5 442.93 cm-1 View
- 6 525.55 cm-1 View
- 7 927.51 cm-1 View
- 8 951.45 cm-1 View
- 9 968.69 cm-1 View
- 10 983.85 cm-1 View
- 11 1069.96 cm-1 View
- 12 1111.58 cm-1 View
- 13 1132.12 cm-1 View
- 14 1274.39 cm-1 View
- 15 1339.69 cm-1 View
- 16 1382.33 cm-1 View
- 17 1398.57 cm-1 View
- 18 1404.61 cm-1 View
- 19 1407.25 cm-1 View
- 20 1408.87 cm-1 View
- 21 1410.68 cm-1 View
- 22 1415.81 cm-1 View
- 23 2916.80 cm-1 View
- 24 3081.41 cm-1 View
- 25 3081.73 cm-1 View
- 26 3091.88 cm-1 View
- 27 3092.73 cm-1 View
- 28 3183.70 cm-1 View
- 29 3184.65 cm-1 View
- 30 3883.45 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.20 | kJ mol-1 |
| Polar Solvation Energy | -9.95 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.16 | kJ mol-1 |
| Surface Area | 83.79 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.84 | Debye |