Prop-2-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 | 222.65 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 232.56 | 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 | 36.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 69.78 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.39 | J mol-1 K-1 |
| Rotational | 100.70 | J mol-1 K-1 |
| Vibrational | 18.27 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 278.36 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -135.16 | kJ mol-1 |
Molecular Orbitals
- 1 -551.06 eV View
- 2 -301.93 eV View
- 3 -300.25 eV View
- 4 -300.02 eV View
- 5 -35.28 eV View
- 6 -27.53 eV View
- 7 -23.65 eV View
- 8 -19.75 eV View
- 9 -17.47 eV View
- 10 -15.70 eV View
- 11 -15.38 eV View
- 12 -13.93 eV View
- 13 -13.07 eV View
- 14 -11.25 eV View
- 15 -9.52 eV View
- 16 -8.80 eV View
- 17 8.17 eV View
- 18 15.79 eV View
- 19 16.97 eV View
- 20 17.59 eV View
- 21 18.77 eV View
- 22 19.29 eV View
- 23 19.57 eV View
- 24 21.20 eV View
- 25 25.17 eV View
- 26 27.65 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 45.10 cm-1 View
- 2 322.43 cm-1 View
- 3 345.78 cm-1 View
- 4 460.65 cm-1 View
- 5 672.80 cm-1 View
- 6 897.99 cm-1 View
- 7 935.69 cm-1 View
- 8 950.28 cm-1 View
- 9 1036.00 cm-1 View
- 10 1042.53 cm-1 View
- 11 1111.37 cm-1 View
- 12 1132.08 cm-1 View
- 13 1209.80 cm-1 View
- 14 1316.81 cm-1 View
- 15 1339.32 cm-1 View
- 16 1373.62 cm-1 View
- 17 1409.19 cm-1 View
- 18 1855.42 cm-1 View
- 19 2930.14 cm-1 View
- 20 3027.29 cm-1 View
- 21 3058.20 cm-1 View
- 22 3130.58 cm-1 View
- 23 3146.86 cm-1 View
- 24 3884.26 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -1.79 | kJ mol-1 |
| Polar Solvation Energy | -10.58 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.78 | kJ mol-1 |
| Surface Area | 81.66 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.85 | Debye |