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 | 313.69 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 323.60 | 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 | 92.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 125.77 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.66 | J mol-1 K-1 |
| Rotational | 120.07 | J mol-1 K-1 |
| Vibrational | 73.46 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 362.19 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -270.09 | kJ mol-1 |
Molecular Orbitals
- 1 -552.28 eV View
- 2 -550.92 eV View
- 3 -303.86 eV View
- 4 -301.01 eV View
- 5 -300.90 eV View
- 6 -300.85 eV View
- 7 -300.78 eV View
- 8 -300.73 eV View
- 9 -300.69 eV View
- 10 -37.59 eV View
- 11 -34.50 eV View
- 12 -30.44 eV View
- 13 -27.01 eV View
- 14 -26.63 eV View
- 15 -22.40 eV View
- 16 -21.55 eV View
- 17 -19.88 eV View
- 18 -18.94 eV View
- 19 -17.31 eV View
- 20 -16.13 eV View
- 21 -15.75 eV View
- 22 -15.11 eV View
- 23 -14.79 eV View
- 24 -14.06 eV View
- 25 -13.24 eV View
- 26 -12.87 eV View
- 27 -12.32 eV View
- 28 -12.13 eV View
- 29 -9.39 eV View
- 30 -9.11 eV View
- 31 -8.25 eV View
- 32 -8.04 eV View
- 33 5.94 eV View
- 34 6.75 eV View
- 35 9.26 eV View
- 36 13.15 eV View
- 37 14.79 eV View
- 38 16.52 eV View
- 39 16.66 eV View
- 40 16.84 eV View
- 41 18.29 eV View
- 42 19.16 eV View
- 43 19.34 eV View
- 44 21.10 eV View
- 45 22.95 eV View
- 46 23.36 eV View
- 47 23.70 eV View
- 48 24.68 eV View
- 49 27.61 eV View
- 50 29.47 eV View
- 51 30.73 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 47.62 cm-1 View
- 2 134.97 cm-1 View
- 3 206.53 cm-1 View
- 4 351.26 cm-1 View
- 5 359.02 cm-1 View
- 6 377.24 cm-1 View
- 7 437.50 cm-1 View
- 8 519.33 cm-1 View
- 9 589.18 cm-1 View
- 10 626.83 cm-1 View
- 11 638.39 cm-1 View
- 12 704.04 cm-1 View
- 13 792.77 cm-1 View
- 14 815.00 cm-1 View
- 15 851.37 cm-1 View
- 16 948.15 cm-1 View
- 17 982.49 cm-1 View
- 18 1023.36 cm-1 View
- 19 1027.96 cm-1 View
- 20 1099.53 cm-1 View
- 21 1103.12 cm-1 View
- 22 1151.73 cm-1 View
- 23 1155.64 cm-1 View
- 24 1218.95 cm-1 View
- 25 1286.03 cm-1 View
- 26 1301.34 cm-1 View
- 27 1315.02 cm-1 View
- 28 1440.53 cm-1 View
- 29 1539.60 cm-1 View
- 30 1597.26 cm-1 View
- 31 1780.46 cm-1 View
- 32 1793.95 cm-1 View
- 33 1993.23 cm-1 View
- 34 3048.30 cm-1 View
- 35 3049.85 cm-1 View
- 36 3057.23 cm-1 View
- 37 3066.10 cm-1 View
- 38 3076.92 cm-1 View
- 39 3882.61 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.97 | kJ mol-1 |
| Polar Solvation Energy | -30.12 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.14 | kJ mol-1 |
| Surface Area | 109.69 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.75 | Debye |