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 | 283.98 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 293.90 | 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 | 45.91 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 79.17 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.82 | J mol-1 K-1 |
| Rotational | 102.20 | J mol-1 K-1 |
| Vibrational | 36.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 298.45 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -256.31 | kJ mol-1 |
Molecular Orbitals
- 1 -550.86 eV View
- 2 -301.71 eV View
- 3 -300.52 eV View
- 4 -300.15 eV View
- 5 -35.13 eV View
- 6 -27.35 eV View
- 7 -23.70 eV View
- 8 -20.65 eV View
- 9 -17.23 eV View
- 10 -16.14 eV View
- 11 -14.85 eV View
- 12 -14.48 eV View
- 13 -12.83 eV View
- 14 -12.48 eV View
- 15 -11.91 eV View
- 16 -10.81 eV View
- 17 -9.36 eV View
- 18 15.28 eV View
- 19 16.54 eV View
- 20 17.22 eV View
- 21 18.12 eV View
- 22 19.05 eV View
- 23 20.09 eV View
- 24 20.29 eV View
- 25 20.76 eV View
- 26 21.25 eV View
- 27 21.55 eV View
- 28 22.09 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 25.86 cm-1 View
- 2 94.11 cm-1 View
- 3 188.26 cm-1 View
- 4 352.59 cm-1 View
- 5 483.56 cm-1 View
- 6 823.93 cm-1 View
- 7 869.60 cm-1 View
- 8 940.25 cm-1 View
- 9 987.82 cm-1 View
- 10 1025.38 cm-1 View
- 11 1104.14 cm-1 View
- 12 1122.68 cm-1 View
- 13 1140.73 cm-1 View
- 14 1152.93 cm-1 View
- 15 1273.61 cm-1 View
- 16 1305.79 cm-1 View
- 17 1369.45 cm-1 View
- 18 1381.73 cm-1 View
- 19 1407.43 cm-1 View
- 20 1411.00 cm-1 View
- 21 1411.64 cm-1 View
- 22 1425.83 cm-1 View
- 23 2931.33 cm-1 View
- 24 2959.90 cm-1 View
- 25 2987.72 cm-1 View
- 26 3037.55 cm-1 View
- 27 3079.76 cm-1 View
- 28 3085.69 cm-1 View
- 29 3182.15 cm-1 View
- 30 3919.49 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 2.17 | kJ mol-1 |
| Polar Solvation Energy | -10.55 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.71 | kJ mol-1 |
| Surface Area | 80.43 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.74 | Debye |