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 | 313.17 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 323.09 | 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 | 92.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 125.84 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.66 | J mol-1 K-1 |
| Rotational | 120.03 | J mol-1 K-1 |
| Vibrational | 80.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 368.71 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -276.56 | kJ mol-1 |
Molecular Orbitals
- 1 -552.03 eV View
- 2 -550.67 eV View
- 3 -303.89 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 -34.27 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 -15.05 eV View
- 23 -14.84 eV View
- 24 -14.68 eV View
- 25 -12.98 eV View
- 26 -12.61 eV View
- 27 -12.18 eV View
- 28 -11.81 eV View
- 29 -9.47 eV View
- 30 -9.11 eV View
- 31 -7.99 eV View
- 32 -7.78 eV View
- 33 5.71 eV View
- 34 7.03 eV View
- 35 9.83 eV View
- 36 13.85 eV View
- 37 14.83 eV View
- 38 16.06 eV View
- 39 16.88 eV View
- 40 17.60 eV View
- 41 18.86 eV View
- 42 19.29 eV View
- 43 19.63 eV View
- 44 20.83 eV View
- 45 22.85 eV View
- 46 23.60 eV View
- 47 23.88 eV View
- 48 24.66 eV View
- 49 27.35 eV View
- 50 30.02 eV View
- 51 30.90 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -9.17 | kJ mol-1 |
| Polar Solvation Energy | -18.89 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.70 | kJ mol-1 |
| Surface Area | 119.90 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.92 | Debye |