Benzoic 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 | 313.16 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 323.08 | 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 | 92.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 125.83 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.66 | J mol-1 K-1 |
| Rotational | 120.04 | J mol-1 K-1 |
| Vibrational | 79.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 368.39 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -276.53 | kJ mol-1 |
Molecular Orbitals
- 1 -552.02 eV View
- 2 -550.67 eV View
- 3 -303.88 eV View
- 4 -300.82 eV View
- 5 -300.65 eV View
- 6 -300.65 eV View
- 7 -300.61 eV View
- 8 -300.45 eV View
- 9 -300.44 eV View
- 10 -37.61 eV View
- 11 -34.26 eV View
- 12 -30.20 eV View
- 13 -26.83 eV View
- 14 -26.37 eV View
- 15 -22.50 eV View
- 16 -21.28 eV View
- 17 -19.81 eV View
- 18 -18.07 eV View
- 19 -16.73 eV View
- 20 -15.89 eV View
- 21 -15.52 eV View
- 22 -15.01 eV View
- 23 -14.81 eV View
- 24 -14.76 eV View
- 25 -12.97 eV View
- 26 -12.61 eV View
- 27 -12.18 eV View
- 28 -11.81 eV View
- 29 -9.48 eV View
- 30 -9.10 eV View
- 31 -7.99 eV View
- 32 -7.77 eV View
- 33 5.70 eV View
- 34 7.03 eV View
- 35 9.85 eV View
- 36 13.89 eV View
- 37 14.82 eV View
- 38 16.04 eV View
- 39 16.87 eV View
- 40 17.60 eV View
- 41 18.85 eV View
- 42 19.29 eV View
- 43 19.63 eV View
- 44 20.82 eV View
- 45 22.84 eV View
- 46 23.60 eV View
- 47 23.89 eV View
- 48 24.66 eV View
- 49 27.35 eV View
- 50 30.03 eV View
- 51 30.90 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 19.22 cm-1 View
- 2 145.90 cm-1 View
- 3 216.45 cm-1 View
- 4 353.20 cm-1 View
- 5 360.74 cm-1 View
- 6 401.47 cm-1 View
- 7 471.13 cm-1 View
- 8 521.63 cm-1 View
- 9 542.65 cm-1 View
- 10 607.08 cm-1 View
- 11 628.00 cm-1 View
- 12 701.08 cm-1 View
- 13 798.12 cm-1 View
- 14 807.82 cm-1 View
- 15 852.08 cm-1 View
- 16 953.52 cm-1 View
- 17 984.01 cm-1 View
- 18 1023.79 cm-1 View
- 19 1028.39 cm-1 View
- 20 1104.75 cm-1 View
- 21 1108.32 cm-1 View
- 22 1154.19 cm-1 View
- 23 1168.71 cm-1 View
- 24 1220.86 cm-1 View
- 25 1235.68 cm-1 View
- 26 1285.18 cm-1 View
- 27 1318.10 cm-1 View
- 28 1454.18 cm-1 View
- 29 1542.38 cm-1 View
- 30 1598.50 cm-1 View
- 31 1778.06 cm-1 View
- 32 1793.06 cm-1 View
- 33 1970.19 cm-1 View
- 34 3044.60 cm-1 View
- 35 3050.63 cm-1 View
- 36 3057.11 cm-1 View
- 37 3066.26 cm-1 View
- 38 3077.14 cm-1 View
- 39 3853.29 cm-1 View