Prop-1-en-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 | 226.47 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 236.39 | 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 | 47.71 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 80.97 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.39 | J mol-1 K-1 |
| Rotational | 99.51 | J mol-1 K-1 |
| Vibrational | 38.13 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 297.03 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -161.61 | kJ mol-1 |
Molecular Orbitals
- 1 -552.03 eV View
- 2 -301.21 eV View
- 3 -300.34 eV View
- 4 -299.37 eV View
- 5 -35.96 eV View
- 6 -27.27 eV View
- 7 -23.59 eV View
- 8 -19.41 eV View
- 9 -17.50 eV View
- 10 -15.58 eV View
- 11 -14.54 eV View
- 12 -12.95 eV View
- 13 -12.87 eV View
- 14 -12.86 eV View
- 15 -11.67 eV View
- 16 -6.86 eV View
- 17 9.00 eV View
- 18 15.35 eV View
- 19 17.77 eV View
- 20 17.88 eV View
- 21 19.39 eV View
- 22 19.67 eV View
- 23 19.90 eV View
- 24 20.69 eV View
- 25 25.87 eV View
- 26 27.97 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 135.45 cm-1 View
- 2 201.45 cm-1 View
- 3 280.95 cm-1 View
- 4 326.18 cm-1 View
- 5 543.76 cm-1 View
- 6 858.22 cm-1 View
- 7 887.31 cm-1 View
- 8 968.22 cm-1 View
- 9 1015.14 cm-1 View
- 10 1069.19 cm-1 View
- 11 1178.76 cm-1 View
- 12 1214.70 cm-1 View
- 13 1328.48 cm-1 View
- 14 1342.55 cm-1 View
- 15 1396.56 cm-1 View
- 16 1397.24 cm-1 View
- 17 1441.29 cm-1 View
- 18 1869.57 cm-1 View
- 19 3003.62 cm-1 View
- 20 3057.00 cm-1 View
- 21 3067.68 cm-1 View
- 22 3073.96 cm-1 View
- 23 3167.50 cm-1 View
- 24 3917.38 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -3.16 | kJ mol-1 |
| Polar Solvation Energy | -12.39 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.24 | kJ mol-1 |
| Surface Area | 77.70 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.95 | Debye |