(e)-3-phenylprop-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 | 449.24 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 459.16 | 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 | 122.91 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 156.17 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.84 | J mol-1 K-1 |
| Rotational | 125.20 | J mol-1 K-1 |
| Vibrational | 114.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 409.17 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -43.52 | kJ mol-1 |
Molecular Orbitals
- 1 -551.04 eV View
- 2 -301.94 eV View
- 3 -300.43 eV View
- 4 -300.17 eV View
- 5 -300.16 eV View
- 6 -300.15 eV View
- 7 -300.14 eV View
- 8 -300.12 eV View
- 9 -300.11 eV View
- 10 -300.04 eV View
- 11 -35.29 eV View
- 12 -30.00 eV View
- 13 -27.97 eV View
- 14 -26.09 eV View
- 15 -25.93 eV View
- 16 -23.36 eV View
- 17 -21.25 eV View
- 18 -20.74 eV View
- 19 -19.34 eV View
- 20 -17.89 eV View
- 21 -16.94 eV View
- 22 -16.05 eV View
- 23 -15.84 eV View
- 24 -14.99 eV View
- 25 -14.59 eV View
- 26 -14.50 eV View
- 27 -14.35 eV View
- 28 -13.09 eV View
- 29 -12.62 eV View
- 30 -11.96 eV View
- 31 -11.69 eV View
- 32 -10.87 eV View
- 33 -9.82 eV View
- 34 -9.23 eV View
- 35 -7.73 eV View
- 36 -6.74 eV View
- 37 6.16 eV View
- 38 7.31 eV View
- 39 9.48 eV View
- 40 13.89 eV View
- 41 15.45 eV View
- 42 15.80 eV View
- 43 16.60 eV View
- 44 17.37 eV View
- 45 17.92 eV View
- 46 18.38 eV View
- 47 18.77 eV View
- 48 19.25 eV View
- 49 19.33 eV View
- 50 19.77 eV View
- 51 20.25 eV View
- 52 21.04 eV View
- 53 22.83 eV View
- 54 23.87 eV View
- 55 24.12 eV View
- 56 24.54 eV View
- 57 26.16 eV View
- 58 28.00 eV View
- 59 30.43 eV View
- 60 31.40 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 10.60 | kJ mol-1 |
| Polar Solvation Energy | -14.41 | kJ mol-1 |
| Nonpolar Solvation Energy | 25.00 | kJ mol-1 |
| Surface Area | 126.95 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.72 | Debye |