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 | 387.66 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 397.57 | 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 | 112.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 145.69 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.02 | J mol-1 K-1 |
| Rotational | 123.16 | J mol-1 K-1 |
| Vibrational | 95.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 388.19 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -242.52 | kJ mol-1 |
Molecular Orbitals
- 1 -552.72 eV View
- 2 -551.22 eV View
- 3 -304.06 eV View
- 4 -302.01 eV View
- 5 -301.47 eV View
- 6 -300.54 eV View
- 7 -300.47 eV View
- 8 -300.40 eV View
- 9 -300.33 eV View
- 10 -300.28 eV View
- 11 -37.85 eV View
- 12 -34.86 eV View
- 13 -29.90 eV View
- 14 -26.79 eV View
- 15 -26.32 eV View
- 16 -26.00 eV View
- 17 -21.61 eV View
- 18 -21.24 eV View
- 19 -19.40 eV View
- 20 -17.99 eV View
- 21 -17.32 eV View
- 22 -16.42 eV View
- 23 -16.11 eV View
- 24 -15.67 eV View
- 25 -15.32 eV View
- 26 -14.71 eV View
- 27 -14.06 eV View
- 28 -13.73 eV View
- 29 -13.08 eV View
- 30 -12.55 eV View
- 31 -11.98 eV View
- 32 -11.51 eV View
- 33 -9.72 eV View
- 34 -9.24 eV View
- 35 -8.05 eV View
- 36 -7.14 eV View
- 37 6.88 eV View
- 38 6.98 eV View
- 39 8.42 eV View
- 40 13.32 eV View
- 41 13.92 eV View
- 42 15.71 eV View
- 43 16.47 eV View
- 44 16.82 eV View
- 45 17.49 eV View
- 46 17.89 eV View
- 47 18.83 eV View
- 48 19.37 eV View
- 49 19.48 eV View
- 50 20.49 eV View
- 51 22.03 eV View
- 52 23.33 eV View
- 53 23.86 eV View
- 54 24.15 eV View
- 55 24.50 eV View
- 56 27.85 eV View
- 57 29.40 eV View
- 58 30.93 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 66.22 cm-1 View
- 2 73.24 cm-1 View
- 3 126.38 cm-1 View
- 4 186.90 cm-1 View
- 5 300.51 cm-1 View
- 6 357.44 cm-1 View
- 7 388.72 cm-1 View
- 8 405.47 cm-1 View
- 9 463.06 cm-1 View
- 10 524.51 cm-1 View
- 11 552.26 cm-1 View
- 12 626.84 cm-1 View
- 13 629.39 cm-1 View
- 14 693.09 cm-1 View
- 15 781.00 cm-1 View
- 16 855.64 cm-1 View
- 17 869.01 cm-1 View
- 18 942.70 cm-1 View
- 19 967.32 cm-1 View
- 20 981.93 cm-1 View
- 21 993.39 cm-1 View
- 22 1012.85 cm-1 View
- 23 1030.10 cm-1 View
- 24 1056.64 cm-1 View
- 25 1110.11 cm-1 View
- 26 1140.21 cm-1 View
- 27 1153.09 cm-1 View
- 28 1168.84 cm-1 View
- 29 1235.47 cm-1 View
- 30 1305.74 cm-1 View
- 31 1336.10 cm-1 View
- 32 1377.98 cm-1 View
- 33 1381.87 cm-1 View
- 34 1395.55 cm-1 View
- 35 1430.23 cm-1 View
- 36 1547.91 cm-1 View
- 37 1590.23 cm-1 View
- 38 1775.65 cm-1 View
- 39 1788.36 cm-1 View
- 40 1994.02 cm-1 View
- 41 3025.67 cm-1 View
- 42 3051.22 cm-1 View
- 43 3054.53 cm-1 View
- 44 3060.34 cm-1 View
- 45 3068.00 cm-1 View
- 46 3078.33 cm-1 View
- 47 3088.46 cm-1 View
- 48 3162.33 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.52 | kJ mol-1 |
| Polar Solvation Energy | -26.16 | kJ mol-1 |
| Nonpolar Solvation Energy | 15.68 | kJ mol-1 |
| Surface Area | 125.50 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.18 | Debye |