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 | 386.47 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 396.39 | 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 | 114.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 147.98 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.02 | J mol-1 K-1 |
| Rotational | 123.00 | J mol-1 K-1 |
| Vibrational | 114.75 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 407.77 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -241.51 | kJ mol-1 |
Molecular Orbitals
- 1 -552.34 eV View
- 2 -551.23 eV View
- 3 -304.14 eV View
- 4 -301.86 eV View
- 5 -301.20 eV View
- 6 -300.36 eV View
- 7 -300.35 eV View
- 8 -300.31 eV View
- 9 -300.31 eV View
- 10 -300.21 eV View
- 11 -37.67 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 -21.31 eV View
- 18 -21.24 eV View
- 19 -19.26 eV View
- 20 -17.55 eV View
- 21 -16.80 eV View
- 22 -16.38 eV View
- 23 -16.07 eV View
- 24 -15.40 eV View
- 25 -15.36 eV View
- 26 -14.75 eV View
- 27 -14.12 eV View
- 28 -13.26 eV View
- 29 -13.08 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 -7.37 eV View
- 37 7.09 eV View
- 38 7.13 eV View
- 39 8.32 eV View
- 40 13.40 eV View
- 41 14.01 eV View
- 42 16.11 eV View
- 43 17.25 eV View
- 44 17.41 eV View
- 45 17.80 eV View
- 46 18.92 eV View
- 47 19.14 eV View
- 48 19.48 eV View
- 49 19.69 eV View
- 50 19.87 eV View
- 51 21.16 eV View
- 52 23.34 eV View
- 53 23.74 eV View
- 54 24.27 eV View
- 55 24.38 eV View
- 56 27.58 eV View
- 57 29.45 eV View
- 58 31.00 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 27.96 cm-1 View
- 2 62.61 cm-1 View
- 3 79.72 cm-1 View
- 4 104.32 cm-1 View
- 5 246.31 cm-1 View
- 6 326.88 cm-1 View
- 7 361.21 cm-1 View
- 8 404.09 cm-1 View
- 9 461.99 cm-1 View
- 10 517.38 cm-1 View
- 11 558.77 cm-1 View
- 12 607.98 cm-1 View
- 13 627.62 cm-1 View
- 14 678.86 cm-1 View
- 15 782.22 cm-1 View
- 16 847.39 cm-1 View
- 17 862.93 cm-1 View
- 18 944.30 cm-1 View
- 19 967.81 cm-1 View
- 20 978.58 cm-1 View
- 21 1000.73 cm-1 View
- 22 1009.77 cm-1 View
- 23 1020.82 cm-1 View
- 24 1048.40 cm-1 View
- 25 1100.75 cm-1 View
- 26 1122.30 cm-1 View
- 27 1152.45 cm-1 View
- 28 1152.93 cm-1 View
- 29 1220.08 cm-1 View
- 30 1301.07 cm-1 View
- 31 1311.94 cm-1 View
- 32 1367.45 cm-1 View
- 33 1377.15 cm-1 View
- 34 1387.26 cm-1 View
- 35 1399.12 cm-1 View
- 36 1544.85 cm-1 View
- 37 1587.54 cm-1 View
- 38 1775.65 cm-1 View
- 39 1786.19 cm-1 View
- 40 1983.61 cm-1 View
- 41 3054.93 cm-1 View
- 42 3059.45 cm-1 View
- 43 3067.69 cm-1 View
- 44 3073.65 cm-1 View
- 45 3081.16 cm-1 View
- 46 3083.82 cm-1 View
- 47 3089.76 cm-1 View
- 48 3176.12 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -3.55 | kJ mol-1 |
| Polar Solvation Energy | -21.86 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.27 | kJ mol-1 |
| Surface Area | 132.82 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.07 | Debye |