Propan-1-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 | 288.14 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 298.06 | 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 | 52.31 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 85.57 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.82 | J mol-1 K-1 |
| Rotational | 101.75 | J mol-1 K-1 |
| Vibrational | 42.08 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 303.65 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -267.69 | kJ mol-1 |
Molecular Orbitals
- 1 -550.92 eV View
- 2 -301.74 eV View
- 3 -300.68 eV View
- 4 -300.44 eV View
- 5 -35.18 eV View
- 6 -27.60 eV View
- 7 -23.65 eV View
- 8 -21.14 eV View
- 9 -17.27 eV View
- 10 -15.95 eV View
- 11 -14.95 eV View
- 12 -14.49 eV View
- 13 -13.47 eV View
- 14 -12.67 eV View
- 15 -12.20 eV View
- 16 -10.75 eV View
- 17 -9.36 eV View
- 18 15.75 eV View
- 19 15.97 eV View
- 20 16.97 eV View
- 21 18.54 eV View
- 22 19.02 eV View
- 23 19.43 eV View
- 24 20.31 eV View
- 25 20.50 eV View
- 26 21.07 eV View
- 27 21.23 eV View
- 28 22.08 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 3.71 | kJ mol-1 |
| Polar Solvation Energy | -10.09 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.84 | kJ mol-1 |
| Surface Area | 76.54 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.78 | Debye |