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 | 287.25 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 297.16 | 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 | 53.39 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 86.64 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.82 | J mol-1 K-1 |
| Rotational | 101.64 | J mol-1 K-1 |
| Vibrational | 46.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 307.62 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -259.96 | kJ mol-1 |
Molecular Orbitals
- 1 -550.93 eV View
- 2 -301.73 eV View
- 3 -300.54 eV View
- 4 -300.32 eV View
- 5 -35.13 eV View
- 6 -27.49 eV View
- 7 -23.60 eV View
- 8 -20.82 eV View
- 9 -16.72 eV View
- 10 -16.67 eV View
- 11 -15.15 eV View
- 12 -14.46 eV View
- 13 -12.83 eV View
- 14 -12.22 eV View
- 15 -12.03 eV View
- 16 -10.94 eV View
- 17 -9.48 eV View
- 18 15.59 eV View
- 19 16.29 eV View
- 20 17.28 eV View
- 21 18.61 eV View
- 22 19.09 eV View
- 23 19.32 eV View
- 24 20.23 eV View
- 25 20.64 eV View
- 26 21.10 eV View
- 27 21.60 eV View
- 28 21.80 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 1.56 | kJ mol-1 |
| Polar Solvation Energy | -10.81 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.37 | kJ mol-1 |
| Surface Area | 83.54 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.68 | Debye |