Phenyl acetate
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 | 386.46 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 396.37 | 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 | 114.62 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 147.87 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.02 | J mol-1 K-1 |
| Rotational | 123.01 | J mol-1 K-1 |
| Vibrational | 111.24 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 404.26 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -241.46 | kJ mol-1 |
Molecular Orbitals
- 1 -552.34 eV View
- 2 -551.22 eV View
- 3 -304.14 eV View
- 4 -301.87 eV View
- 5 -301.20 eV View
- 6 -300.36 eV View
- 7 -300.35 eV View
- 8 -300.31 eV View
- 9 -300.30 eV View
- 10 -300.21 eV View
- 11 -37.66 eV View
- 12 -34.88 eV View
- 13 -29.80 eV View
- 14 -26.71 eV View
- 15 -26.26 eV View
- 16 -25.56 eV View
- 17 -21.32 eV View
- 18 -21.23 eV View
- 19 -19.26 eV View
- 20 -17.54 eV View
- 21 -16.80 eV View
- 22 -16.38 eV View
- 23 -16.07 eV View
- 24 -15.39 eV View
- 25 -15.36 eV View
- 26 -14.75 eV View
- 27 -14.12 eV View
- 28 -13.27 eV View
- 29 -13.07 eV View
- 30 -12.42 eV View
- 31 -11.93 eV View
- 32 -11.50 eV View
- 33 -9.49 eV View
- 34 -9.16 eV View
- 35 -7.87 eV View
- 36 -7.36 eV View
- 37 7.09 eV View
- 38 7.13 eV View
- 39 8.31 eV View
- 40 13.40 eV View
- 41 14.01 eV View
- 42 16.11 eV View
- 43 17.25 eV View
- 44 17.39 eV View
- 45 17.80 eV View
- 46 18.90 eV View
- 47 19.13 eV View
- 48 19.47 eV View
- 49 19.68 eV View
- 50 19.87 eV View
- 51 21.17 eV View
- 52 23.34 eV View
- 53 23.74 eV View
- 54 24.26 eV View
- 55 24.38 eV View
- 56 27.56 eV View
- 57 29.45 eV View
- 58 31.00 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.75 | kJ mol-1 |
| Polar Solvation Energy | -21.45 | kJ mol-1 |
| Nonpolar Solvation Energy | 27.21 | kJ mol-1 |
| Surface Area | 126.42 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.05 | Debye |