benzene acetic acid
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 | 445.63 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 455.54 | 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 | 135.63 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 168.89 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.20 | J mol-1 K-1 |
| Rotational | 129.46 | J mol-1 K-1 |
| Vibrational | 207.13 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 506.80 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -318.82 | kJ mol-1 |
Molecular Orbitals
- 1 -552.37 eV View
- 2 -550.95 eV View
- 3 -303.95 eV View
- 4 -301.45 eV View
- 5 -300.10 eV View
- 6 -300.09 eV View
- 7 -300.08 eV View
- 8 -300.07 eV View
- 9 -300.06 eV View
- 10 -300.05 eV View
- 11 -37.65 eV View
- 12 -34.54 eV View
- 13 -29.69 eV View
- 14 -26.61 eV View
- 15 -25.96 eV View
- 16 -25.95 eV View
- 17 -20.80 eV View
- 18 -20.79 eV View
- 19 -20.02 eV View
- 20 -17.94 eV View
- 21 -17.77 eV View
- 22 -16.14 eV View
- 23 -16.00 eV View
- 24 -15.82 eV View
- 25 -15.06 eV View
- 26 -14.46 eV View
- 27 -14.45 eV View
- 28 -13.64 eV View
- 29 -13.52 eV View
- 30 -12.45 eV View
- 31 -12.41 eV View
- 32 -11.71 eV View
- 33 -11.70 eV View
- 34 -9.25 eV View
- 35 -9.22 eV View
- 36 -7.63 eV View
- 37 -7.62 eV View
- 38 7.36 eV View
- 39 7.37 eV View
- 40 8.48 eV View
- 41 13.80 eV View
- 42 15.50 eV View
- 43 15.75 eV View
- 44 16.90 eV View
- 45 17.43 eV View
- 46 17.44 eV View
- 47 17.50 eV View
- 48 18.65 eV View
- 49 19.39 eV View
- 50 19.45 eV View
- 51 19.93 eV View
- 52 19.97 eV View
- 53 22.58 eV View
- 54 23.96 eV View
- 55 23.97 eV View
- 56 24.48 eV View
- 57 24.49 eV View
- 58 27.64 eV View
- 59 29.77 eV View
- 60 31.36 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 16.90 cm-1 View
- 2 20.89 cm-1 View
- 3 23.21 cm-1 View
- 4 25.26 cm-1 View
- 5 28.24 cm-1 View
- 6 33.35 cm-1 View
- 7 89.75 cm-1 View
- 8 357.02 cm-1 View
- 9 357.98 cm-1 View
- 10 408.07 cm-1 View
- 11 433.29 cm-1 View
- 12 524.54 cm-1 View
- 13 567.88 cm-1 View
- 14 619.96 cm-1 View
- 15 620.16 cm-1 View
- 16 620.87 cm-1 View
- 17 716.64 cm-1 View
- 18 850.69 cm-1 View
- 19 852.19 cm-1 View
- 20 956.49 cm-1 View
- 21 975.81 cm-1 View
- 22 978.19 cm-1 View
- 23 979.90 cm-1 View
- 24 984.61 cm-1 View
- 25 1007.38 cm-1 View
- 26 1025.00 cm-1 View
- 27 1068.72 cm-1 View
- 28 1068.86 cm-1 View
- 29 1147.60 cm-1 View
- 30 1148.43 cm-1 View
- 31 1154.66 cm-1 View
- 32 1225.22 cm-1 View
- 33 1228.50 cm-1 View
- 34 1298.59 cm-1 View
- 35 1300.62 cm-1 View
- 36 1358.48 cm-1 View
- 37 1383.07 cm-1 View
- 38 1397.64 cm-1 View
- 39 1444.11 cm-1 View
- 40 1545.82 cm-1 View
- 41 1547.40 cm-1 View
- 42 1783.45 cm-1 View
- 43 1784.61 cm-1 View
- 44 1992.38 cm-1 View
- 45 3052.91 cm-1 View
- 46 3056.51 cm-1 View
- 47 3059.05 cm-1 View
- 48 3069.93 cm-1 View
- 49 3072.35 cm-1 View
- 50 3083.12 cm-1 View
- 51 3083.59 cm-1 View
- 52 3087.57 cm-1 View
- 53 3177.75 cm-1 View
- 54 3888.75 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 80.28 | kJ mol-1 |
| Polar Solvation Energy | -35.79 | kJ mol-1 |
| Nonpolar Solvation Energy | 116.08 | kJ mol-1 |
| Surface Area | 140.31 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.20 | Debye |