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 | 313.18 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 323.10 | 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 | 92.56 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 125.82 | 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 | 77.13 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 365.83 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -276.52 | kJ mol-1 |
Molecular Orbitals
- 1 -552.04 eV View
- 2 -550.68 eV View
- 3 -303.89 eV View
- 4 -300.83 eV View
- 5 -300.66 eV View
- 6 -300.65 eV View
- 7 -300.61 eV View
- 8 -300.45 eV View
- 9 -300.45 eV View
- 10 -37.62 eV View
- 11 -34.27 eV View
- 12 -30.20 eV View
- 13 -26.83 eV View
- 14 -26.38 eV View
- 15 -22.50 eV View
- 16 -21.29 eV View
- 17 -19.82 eV View
- 18 -18.07 eV View
- 19 -16.73 eV View
- 20 -15.91 eV View
- 21 -15.52 eV View
- 22 -15.14 eV View
- 23 -14.86 eV View
- 24 -14.58 eV View
- 25 -13.00 eV View
- 26 -12.62 eV View
- 27 -12.17 eV View
- 28 -11.82 eV View
- 29 -9.46 eV View
- 30 -9.12 eV View
- 31 -7.99 eV View
- 32 -7.79 eV View
- 33 5.76 eV View
- 34 7.03 eV View
- 35 9.76 eV View
- 36 13.76 eV View
- 37 14.85 eV View
- 38 16.10 eV View
- 39 16.91 eV View
- 40 17.61 eV View
- 41 18.87 eV View
- 42 19.31 eV View
- 43 19.62 eV View
- 44 20.85 eV View
- 45 22.87 eV View
- 46 23.60 eV View
- 47 23.87 eV View
- 48 24.65 eV View
- 49 27.34 eV View
- 50 29.97 eV View
- 51 30.90 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 26.87 cm-1 View
- 2 144.09 cm-1 View
- 3 214.28 cm-1 View
- 4 353.07 cm-1 View
- 5 358.16 cm-1 View
- 6 390.47 cm-1 View
- 7 480.86 cm-1 View
- 8 524.14 cm-1 View
- 9 543.42 cm-1 View
- 10 611.73 cm-1 View
- 11 627.89 cm-1 View
- 12 702.39 cm-1 View
- 13 797.59 cm-1 View
- 14 808.33 cm-1 View
- 15 852.55 cm-1 View
- 16 953.16 cm-1 View
- 17 983.97 cm-1 View
- 18 1023.61 cm-1 View
- 19 1028.55 cm-1 View
- 20 1104.06 cm-1 View
- 21 1107.01 cm-1 View
- 22 1153.77 cm-1 View
- 23 1165.73 cm-1 View
- 24 1221.48 cm-1 View
- 25 1234.62 cm-1 View
- 26 1285.69 cm-1 View
- 27 1317.37 cm-1 View
- 28 1454.63 cm-1 View
- 29 1542.20 cm-1 View
- 30 1599.19 cm-1 View
- 31 1778.46 cm-1 View
- 32 1793.23 cm-1 View
- 33 1971.61 cm-1 View
- 34 3046.00 cm-1 View
- 35 3050.81 cm-1 View
- 36 3057.31 cm-1 View
- 37 3066.50 cm-1 View
- 38 3077.23 cm-1 View
- 39 3852.73 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 1.41 | kJ mol-1 |
| Polar Solvation Energy | -18.96 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.36 | kJ mol-1 |
| Surface Area | 109.53 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.89 | Debye |