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 | 288.36 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 298.27 | 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 | 54.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 88.24 | 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 | 40.64 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 302.48 | 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 -27.10 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 19.46 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 |
|
- 1 162.59 cm-1 View
- 2 187.65 cm-1 View
- 3 253.84 cm-1 View
- 4 387.46 cm-1 View
- 5 447.65 cm-1 View
- 6 514.70 cm-1 View
- 7 932.20 cm-1 View
- 8 954.17 cm-1 View
- 9 971.77 cm-1 View
- 10 978.05 cm-1 View
- 11 1097.71 cm-1 View
- 12 1102.60 cm-1 View
- 13 1134.69 cm-1 View
- 14 1221.24 cm-1 View
- 15 1333.92 cm-1 View
- 16 1374.69 cm-1 View
- 17 1400.35 cm-1 View
- 18 1403.08 cm-1 View
- 19 1406.48 cm-1 View
- 20 1411.17 cm-1 View
- 21 1414.09 cm-1 View
- 22 1439.59 cm-1 View
- 23 2831.95 cm-1 View
- 24 3083.55 cm-1 View
- 25 3085.73 cm-1 View
- 26 3088.87 cm-1 View
- 27 3090.01 cm-1 View
- 28 3183.08 cm-1 View
- 29 3184.26 cm-1 View
- 30 3901.05 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 2.37 | kJ mol-1 |
| Polar Solvation Energy | -10.60 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.96 | kJ mol-1 |
| Surface Area | 78.43 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.79 | Debye |