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 | 386.56 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 396.48 | 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 | 114.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 147.70 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.02 | J mol-1 K-1 |
| Rotational | 123.06 | J mol-1 K-1 |
| Vibrational | 108.26 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 401.34 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -243.87 | kJ mol-1 |
Molecular Orbitals
- 1 -552.57 eV View
- 2 -551.15 eV View
- 3 -304.02 eV View
- 4 -301.92 eV View
- 5 -301.45 eV View
- 6 -300.55 eV View
- 7 -300.53 eV View
- 8 -300.46 eV View
- 9 -300.43 eV View
- 10 -300.38 eV View
- 11 -37.76 eV View
- 12 -34.80 eV View
- 13 -29.94 eV View
- 14 -26.67 eV View
- 15 -26.43 eV View
- 16 -26.00 eV View
- 17 -21.47 eV View
- 18 -21.34 eV View
- 19 -19.36 eV View
- 20 -18.03 eV View
- 21 -17.16 eV View
- 22 -16.54 eV View
- 23 -16.05 eV View
- 24 -15.55 eV View
- 25 -15.47 eV View
- 26 -14.91 eV View
- 27 -13.87 eV View
- 28 -13.46 eV View
- 29 -13.26 eV View
- 30 -12.63 eV View
- 31 -12.07 eV View
- 32 -11.59 eV View
- 33 -9.51 eV View
- 34 -9.00 eV View
- 35 -8.08 eV View
- 36 -7.44 eV View
- 37 6.88 eV View
- 38 6.93 eV View
- 39 8.36 eV View
- 40 13.22 eV View
- 41 14.24 eV View
- 42 15.75 eV View
- 43 16.73 eV View
- 44 17.04 eV View
- 45 17.47 eV View
- 46 18.36 eV View
- 47 18.70 eV View
- 48 19.30 eV View
- 49 19.37 eV View
- 50 19.68 eV View
- 51 22.14 eV View
- 52 23.30 eV View
- 53 23.57 eV View
- 54 24.10 eV View
- 55 24.24 eV View
- 56 27.84 eV View
- 57 29.28 eV View
- 58 30.83 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 41.86 cm-1 View
- 2 67.54 cm-1 View
- 3 97.32 cm-1 View
- 4 107.27 cm-1 View
- 5 245.09 cm-1 View
- 6 361.99 cm-1 View
- 7 386.75 cm-1 View
- 8 400.80 cm-1 View
- 9 437.02 cm-1 View
- 10 522.11 cm-1 View
- 11 544.32 cm-1 View
- 12 613.93 cm-1 View
- 13 627.61 cm-1 View
- 14 677.71 cm-1 View
- 15 784.08 cm-1 View
- 16 848.76 cm-1 View
- 17 865.01 cm-1 View
- 18 943.63 cm-1 View
- 19 963.73 cm-1 View
- 20 978.87 cm-1 View
- 21 990.21 cm-1 View
- 22 1000.29 cm-1 View
- 23 1017.33 cm-1 View
- 24 1052.02 cm-1 View
- 25 1100.23 cm-1 View
- 26 1127.49 cm-1 View
- 27 1152.60 cm-1 View
- 28 1152.80 cm-1 View
- 29 1219.68 cm-1 View
- 30 1300.50 cm-1 View
- 31 1331.73 cm-1 View
- 32 1374.50 cm-1 View
- 33 1379.71 cm-1 View
- 34 1382.51 cm-1 View
- 35 1403.20 cm-1 View
- 36 1544.03 cm-1 View
- 37 1589.50 cm-1 View
- 38 1773.47 cm-1 View
- 39 1786.83 cm-1 View
- 40 1996.24 cm-1 View
- 41 3054.05 cm-1 View
- 42 3057.18 cm-1 View
- 43 3064.91 cm-1 View
- 44 3070.39 cm-1 View
- 45 3075.47 cm-1 View
- 46 3079.44 cm-1 View
- 47 3088.99 cm-1 View
- 48 3170.45 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.63 | kJ mol-1 |
| Polar Solvation Energy | -26.68 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.05 | kJ mol-1 |
| Surface Area | 128.89 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.39 | Debye |