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 | 288.17 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 298.08 | 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 | 52.21 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 85.47 | 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 | 41.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 303.34 | 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 -14.48 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 19.01 eV View
- 23 19.42 eV View
- 24 20.30 eV View
- 25 20.50 eV View
- 26 21.07 eV View
- 27 21.24 eV View
- 28 22.07 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 95.76 cm-1 View
- 2 192.96 cm-1 View
- 3 318.25 cm-1 View
- 4 334.15 cm-1 View
- 5 485.00 cm-1 View
- 6 786.49 cm-1 View
- 7 907.62 cm-1 View
- 8 941.55 cm-1 View
- 9 1023.92 cm-1 View
- 10 1112.27 cm-1 View
- 11 1120.57 cm-1 View
- 12 1126.07 cm-1 View
- 13 1138.15 cm-1 View
- 14 1153.05 cm-1 View
- 15 1276.97 cm-1 View
- 16 1355.75 cm-1 View
- 17 1377.21 cm-1 View
- 18 1388.72 cm-1 View
- 19 1408.26 cm-1 View
- 20 1409.20 cm-1 View
- 21 1410.82 cm-1 View
- 22 1433.20 cm-1 View
- 23 2934.40 cm-1 View
- 24 2957.81 cm-1 View
- 25 3026.98 cm-1 View
- 26 3038.43 cm-1 View
- 27 3078.10 cm-1 View
- 28 3084.72 cm-1 View
- 29 3181.04 cm-1 View
- 30 3887.25 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 1.71 | kJ mol-1 |
| Polar Solvation Energy | -10.04 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.75 | kJ mol-1 |
| Surface Area | 81.93 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.78 | Debye |