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 | 288.37 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 298.29 | 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 | 54.92 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 88.18 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.82 | J mol-1 K-1 |
| Rotational | 102.02 | J mol-1 K-1 |
| Vibrational | 40.39 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 302.23 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -267.30 | kJ mol-1 |
Molecular Orbitals
- 1 -550.81 eV View
- 2 -301.95 eV View
- 3 -300.42 eV View
- 4 -300.27 eV View
- 5 -35.10 eV View
- 6 -27.11 eV View
- 7 -24.44 eV View
- 8 -20.51 eV View
- 9 -17.11 eV View
- 10 -15.82 eV View
- 11 -15.18 eV View
- 12 -13.86 eV View
- 13 -13.32 eV View
- 14 -12.90 eV View
- 15 -12.37 eV View
- 16 -10.73 eV View
- 17 -9.38 eV View
- 18 15.04 eV View
- 19 16.45 eV View
- 20 17.35 eV View
- 21 18.98 eV View
- 22 19.12 eV View
- 23 19.47 eV View
- 24 20.33 eV View
- 25 20.66 eV View
- 26 20.73 eV View
- 27 21.19 eV View
- 28 21.88 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 162.76 cm-1 View
- 2 188.01 cm-1 View
- 3 261.92 cm-1 View
- 4 387.69 cm-1 View
- 5 447.57 cm-1 View
- 6 514.43 cm-1 View
- 7 932.41 cm-1 View
- 8 954.09 cm-1 View
- 9 971.89 cm-1 View
- 10 978.08 cm-1 View
- 11 1097.61 cm-1 View
- 12 1102.61 cm-1 View
- 13 1134.69 cm-1 View
- 14 1221.01 cm-1 View
- 15 1333.87 cm-1 View
- 16 1374.53 cm-1 View
- 17 1400.22 cm-1 View
- 18 1402.90 cm-1 View
- 19 1406.56 cm-1 View
- 20 1411.16 cm-1 View
- 21 1414.05 cm-1 View
- 22 1439.47 cm-1 View
- 23 2832.13 cm-1 View
- 24 3083.25 cm-1 View
- 25 3085.66 cm-1 View
- 26 3089.09 cm-1 View
- 27 3089.79 cm-1 View
- 28 3182.92 cm-1 View
- 29 3184.09 cm-1 View
- 30 3901.42 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 3.70 | kJ mol-1 |
| Polar Solvation Energy | -10.40 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.09 | kJ mol-1 |
| Surface Area | 79.40 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.79 | Debye |