Prop-1-en-2-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 | 227.83 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 237.74 | 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 | 47.07 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 80.32 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.39 | J mol-1 K-1 |
| Rotational | 100.82 | J mol-1 K-1 |
| Vibrational | 34.07 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 294.29 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -162.10 | kJ mol-1 |
Molecular Orbitals
- 1 -552.00 eV View
- 2 -301.60 eV View
- 3 -301.00 eV View
- 4 -298.85 eV View
- 5 -35.99 eV View
- 6 -27.20 eV View
- 7 -24.42 eV View
- 8 -19.16 eV View
- 9 -16.93 eV View
- 10 -15.71 eV View
- 11 -15.38 eV View
- 12 -13.68 eV View
- 13 -13.18 eV View
- 14 -12.50 eV View
- 15 -11.45 eV View
- 16 -7.06 eV View
- 17 9.00 eV View
- 18 14.97 eV View
- 19 17.56 eV View
- 20 18.38 eV View
- 21 19.07 eV View
- 22 19.54 eV View
- 23 19.70 eV View
- 24 20.08 eV View
- 25 26.02 eV View
- 26 27.84 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 127.23 cm-1 View
- 2 215.47 cm-1 View
- 3 436.26 cm-1 View
- 4 494.86 cm-1 View
- 5 504.56 cm-1 View
- 6 641.85 cm-1 View
- 7 943.59 cm-1 View
- 8 966.63 cm-1 View
- 9 989.57 cm-1 View
- 10 1000.07 cm-1 View
- 11 1022.34 cm-1 View
- 12 1302.14 cm-1 View
- 13 1367.56 cm-1 View
- 14 1378.43 cm-1 View
- 15 1400.61 cm-1 View
- 16 1402.13 cm-1 View
- 17 1475.92 cm-1 View
- 18 1872.23 cm-1 View
- 19 3070.72 cm-1 View
- 20 3080.10 cm-1 View
- 21 3151.27 cm-1 View
- 22 3156.44 cm-1 View
- 23 3171.94 cm-1 View
- 24 3895.37 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -6.35 | kJ mol-1 |
| Polar Solvation Energy | -12.05 | kJ mol-1 |
| Nonpolar Solvation Energy | 5.73 | kJ mol-1 |
| Surface Area | 81.35 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.35 | Debye |