Benzene
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 | 263.87 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 273.79 | 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 | 48.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 81.96 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.09 | J mol-1 K-1 |
| Rotational | 107.29 | J mol-1 K-1 |
| Vibrational | 20.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 291.19 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 98.73 | kJ mol-1 |
Molecular Orbitals
- 1 -300.12 eV View
- 2 -300.11 eV View
- 3 -300.11 eV View
- 4 -300.10 eV View
- 5 -300.09 eV View
- 6 -300.08 eV View
- 7 -29.72 eV View
- 8 -25.99 eV View
- 9 -25.97 eV View
- 10 -20.86 eV View
- 11 -20.78 eV View
- 12 -17.97 eV View
- 13 -16.03 eV View
- 14 -15.10 eV View
- 15 -14.49 eV View
- 16 -14.47 eV View
- 17 -12.47 eV View
- 18 -11.76 eV View
- 19 -11.70 eV View
- 20 -7.64 eV View
- 21 -7.64 eV View
- 22 7.34 eV View
- 23 7.36 eV View
- 24 13.79 eV View
- 25 15.47 eV View
- 26 17.36 eV View
- 27 17.49 eV View
- 28 19.44 eV View
- 29 19.84 eV View
- 30 20.03 eV View
- 31 23.87 eV View
- 32 24.01 eV View
- 33 24.41 eV View
- 34 24.58 eV View
- 35 29.76 eV View
- 36 31.37 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 352.58 cm-1 View
- 2 358.99 cm-1 View
- 3 618.65 cm-1 View
- 4 619.97 cm-1 View
- 5 620.98 cm-1 View
- 6 715.98 cm-1 View
- 7 849.72 cm-1 View
- 8 850.73 cm-1 View
- 9 975.96 cm-1 View
- 10 977.88 cm-1 View
- 11 978.04 cm-1 View
- 12 1023.93 cm-1 View
- 13 1067.57 cm-1 View
- 14 1068.34 cm-1 View
- 15 1143.15 cm-1 View
- 16 1150.97 cm-1 View
- 17 1153.37 cm-1 View
- 18 1224.27 cm-1 View
- 19 1229.96 cm-1 View
- 20 1304.98 cm-1 View
- 21 1546.72 cm-1 View
- 22 1548.55 cm-1 View
- 23 1783.35 cm-1 View
- 24 1788.48 cm-1 View
- 25 3055.46 cm-1 View
- 26 3059.52 cm-1 View
- 27 3061.12 cm-1 View
- 28 3073.33 cm-1 View
- 29 3073.63 cm-1 View
- 30 3085.62 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 3.57 | kJ mol-1 |
| Polar Solvation Energy | -4.98 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.57 | kJ mol-1 |
| Surface Area | 91.79 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |