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 | 288.16 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 298.07 | 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 | 52.25 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 85.51 | 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 | 41.92 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 303.49 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -267.72 | 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 22.07 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 95.30 cm-1 View
- 2 192.04 cm-1 View
- 3 318.15 cm-1 View
- 4 331.00 cm-1 View
- 5 485.09 cm-1 View
- 6 786.13 cm-1 View
- 7 907.50 cm-1 View
- 8 941.22 cm-1 View
- 9 1024.17 cm-1 View
- 10 1112.36 cm-1 View
- 11 1120.35 cm-1 View
- 12 1126.07 cm-1 View
- 13 1137.88 cm-1 View
- 14 1153.21 cm-1 View
- 15 1277.00 cm-1 View
- 16 1355.78 cm-1 View
- 17 1377.41 cm-1 View
- 18 1388.89 cm-1 View
- 19 1408.28 cm-1 View
- 20 1409.37 cm-1 View
- 21 1410.84 cm-1 View
- 22 1433.34 cm-1 View
- 23 2933.94 cm-1 View
- 24 2958.22 cm-1 View
- 25 3026.43 cm-1 View
- 26 3038.99 cm-1 View
- 27 3078.85 cm-1 View
- 28 3084.99 cm-1 View
- 29 3181.57 cm-1 View
- 30 3885.97 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 2.53 | kJ mol-1 |
| Polar Solvation Energy | -10.15 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.67 | kJ mol-1 |
| Surface Area | 76.49 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.78 | Debye |