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 | 259.48 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 269.40 | 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 | 54.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 87.62 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.09 | J mol-1 K-1 |
| Rotational | 106.82 | J mol-1 K-1 |
| Vibrational | 26.89 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 296.80 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 503.72 | kJ mol-1 |
Molecular Orbitals
- 1 -300.33 eV View
- 2 -300.33 eV View
- 3 -300.30 eV View
- 4 -300.30 eV View
- 5 -299.35 eV View
- 6 -299.33 eV View
- 7 -29.93 eV View
- 8 -26.07 eV View
- 9 -25.29 eV View
- 10 -20.37 eV View
- 11 -20.19 eV View
- 12 -17.60 eV View
- 13 -17.17 eV View
- 14 -15.22 eV View
- 15 -14.29 eV View
- 16 -13.47 eV View
- 17 -13.31 eV View
- 18 -11.76 eV View
- 19 -10.32 eV View
- 20 -6.92 eV View
- 21 -5.66 eV View
- 22 4.81 eV View
- 23 7.37 eV View
- 24 10.51 eV View
- 25 16.71 eV View
- 26 16.99 eV View
- 27 18.01 eV View
- 28 18.70 eV View
- 29 18.92 eV View
- 30 19.92 eV View
- 31 21.87 eV View
- 32 24.25 eV View
- 33 25.20 eV View
- 34 25.57 eV View
- 35 25.89 eV View
- 36 30.07 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 233.51 cm-1 View
- 2 378.46 cm-1 View
- 3 406.29 cm-1 View
- 4 587.79 cm-1 View
- 5 605.82 cm-1 View
- 6 722.53 cm-1 View
- 7 731.44 cm-1 View
- 8 828.31 cm-1 View
- 9 901.97 cm-1 View
- 10 943.41 cm-1 View
- 11 950.96 cm-1 View
- 12 988.69 cm-1 View
- 13 1019.82 cm-1 View
- 14 1082.84 cm-1 View
- 15 1097.71 cm-1 View
- 16 1109.54 cm-1 View
- 17 1123.84 cm-1 View
- 18 1163.10 cm-1 View
- 19 1233.36 cm-1 View
- 20 1346.88 cm-1 View
- 21 1367.39 cm-1 View
- 22 1682.92 cm-1 View
- 23 1736.68 cm-1 View
- 24 1738.74 cm-1 View
- 25 3030.09 cm-1 View
- 26 3031.53 cm-1 View
- 27 3072.02 cm-1 View
- 28 3079.94 cm-1 View
- 29 3127.62 cm-1 View
- 30 3129.60 cm-1 View