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 | 287.22 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 297.14 | 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 | 53.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 86.73 | 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 | 46.71 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 308.18 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -259.99 | 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 -16.73 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 17.27 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 21.81 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 89.60 cm-1 View
- 2 184.85 cm-1 View
- 3 195.00 cm-1 View
- 4 320.88 cm-1 View
- 5 470.10 cm-1 View
- 6 786.43 cm-1 View
- 7 911.87 cm-1 View
- 8 940.18 cm-1 View
- 9 1037.72 cm-1 View
- 10 1104.36 cm-1 View
- 11 1107.82 cm-1 View
- 12 1128.49 cm-1 View
- 13 1142.66 cm-1 View
- 14 1149.33 cm-1 View
- 15 1257.65 cm-1 View
- 16 1318.88 cm-1 View
- 17 1378.67 cm-1 View
- 18 1385.26 cm-1 View
- 19 1409.81 cm-1 View
- 20 1410.73 cm-1 View
- 21 1421.86 cm-1 View
- 22 1435.73 cm-1 View
- 23 2908.71 cm-1 View
- 24 2963.14 cm-1 View
- 25 2969.45 cm-1 View
- 26 3044.39 cm-1 View
- 27 3078.43 cm-1 View
- 28 3084.73 cm-1 View
- 29 3181.73 cm-1 View
- 30 3910.29 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -0.17 | kJ mol-1 |
| Polar Solvation Energy | -10.97 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.78 | kJ mol-1 |
| Surface Area | 84.18 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.68 | Debye |