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 | 383.32 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 393.24 | 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 | 106.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 139.94 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.02 | J mol-1 K-1 |
| Rotational | 123.35 | J mol-1 K-1 |
| Vibrational | 99.22 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 392.59 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -230.50 | kJ mol-1 |
Molecular Orbitals
- 1 -552.90 eV View
- 2 -551.26 eV View
- 3 -304.16 eV View
- 4 -302.13 eV View
- 5 -301.60 eV View
- 6 -300.45 eV View
- 7 -300.38 eV View
- 8 -300.21 eV View
- 9 -300.17 eV View
- 10 -300.12 eV View
- 11 -37.95 eV View
- 12 -34.89 eV View
- 13 -29.81 eV View
- 14 -26.95 eV View
- 15 -26.22 eV View
- 16 -25.97 eV View
- 17 -21.72 eV View
- 18 -21.13 eV View
- 19 -19.45 eV View
- 20 -17.96 eV View
- 21 -17.38 eV View
- 22 -16.37 eV View
- 23 -16.12 eV View
- 24 -15.71 eV View
- 25 -15.15 eV View
- 26 -14.54 eV View
- 27 -14.38 eV View
- 28 -13.84 eV View
- 29 -12.82 eV View
- 30 -12.48 eV View
- 31 -12.01 eV View
- 32 -11.27 eV View
- 33 -10.07 eV View
- 34 -9.41 eV View
- 35 -7.98 eV View
- 36 -6.79 eV View
- 37 6.94 eV View
- 38 7.07 eV View
- 39 8.54 eV View
- 40 13.55 eV View
- 41 13.84 eV View
- 42 15.47 eV View
- 43 16.62 eV View
- 44 17.11 eV View
- 45 17.35 eV View
- 46 18.01 eV View
- 47 18.37 eV View
- 48 19.37 eV View
- 49 19.59 eV View
- 50 20.21 eV View
- 51 22.08 eV View
- 52 23.23 eV View
- 53 23.77 eV View
- 54 24.34 eV View
- 55 24.85 eV View
- 56 27.86 eV View
- 57 29.56 eV View
- 58 31.12 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 15.52 cm-1 View
- 2 17.99 cm-1 View
- 3 61.50 cm-1 View
- 4 188.86 cm-1 View
- 5 203.34 cm-1 View
- 6 325.85 cm-1 View
- 7 350.87 cm-1 View
- 8 398.31 cm-1 View
- 9 471.37 cm-1 View
- 10 531.92 cm-1 View
- 11 543.50 cm-1 View
- 12 623.57 cm-1 View
- 13 628.87 cm-1 View
- 14 668.96 cm-1 View
- 15 774.40 cm-1 View
- 16 832.82 cm-1 View
- 17 850.13 cm-1 View
- 18 919.35 cm-1 View
- 19 970.39 cm-1 View
- 20 971.25 cm-1 View
- 21 994.54 cm-1 View
- 22 1000.03 cm-1 View
- 23 1011.37 cm-1 View
- 24 1058.26 cm-1 View
- 25 1110.10 cm-1 View
- 26 1137.58 cm-1 View
- 27 1154.40 cm-1 View
- 28 1162.31 cm-1 View
- 29 1227.48 cm-1 View
- 30 1301.26 cm-1 View
- 31 1335.29 cm-1 View
- 32 1363.61 cm-1 View
- 33 1366.36 cm-1 View
- 34 1388.57 cm-1 View
- 35 1422.91 cm-1 View
- 36 1548.15 cm-1 View
- 37 1588.16 cm-1 View
- 38 1778.52 cm-1 View
- 39 1790.75 cm-1 View
- 40 1988.07 cm-1 View
- 41 3001.18 cm-1 View
- 42 3051.38 cm-1 View
- 43 3052.55 cm-1 View
- 44 3058.42 cm-1 View
- 45 3065.27 cm-1 View
- 46 3078.46 cm-1 View
- 47 3089.33 cm-1 View
- 48 3159.48 cm-1 View