Benzonitrile
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 | 267.75 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 277.66 | 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 | 72.27 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 105.53 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.55 | J mol-1 K-1 |
| Rotational | 116.27 | J mol-1 K-1 |
| Vibrational | 46.26 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 329.08 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 244.43 | kJ mol-1 |
Molecular Orbitals
- 1 -417.62 eV View
- 2 -301.70 eV View
- 3 -301.09 eV View
- 4 -301.09 eV View
- 5 -300.96 eV View
- 6 -300.93 eV View
- 7 -300.81 eV View
- 8 -300.81 eV View
- 9 -31.73 eV View
- 10 -30.48 eV View
- 11 -27.12 eV View
- 12 -26.76 eV View
- 13 -22.31 eV View
- 14 -21.67 eV View
- 15 -19.21 eV View
- 16 -17.34 eV View
- 17 -16.17 eV View
- 18 -15.68 eV View
- 19 -15.22 eV View
- 20 -13.78 eV View
- 21 -13.23 eV View
- 22 -12.70 eV View
- 23 -12.33 eV View
- 24 -11.57 eV View
- 25 -10.95 eV View
- 26 -8.35 eV View
- 27 -7.99 eV View
- 28 5.55 eV View
- 29 6.67 eV View
- 30 9.79 eV View
- 31 10.78 eV View
- 32 14.02 eV View
- 33 14.57 eV View
- 34 16.38 eV View
- 35 16.81 eV View
- 36 18.19 eV View
- 37 19.02 eV View
- 38 19.57 eV View
- 39 22.57 eV View
- 40 23.21 eV View
- 41 23.50 eV View
- 42 24.13 eV View
- 43 28.99 eV View
- 44 30.03 eV View
- 45 37.30 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 141.16 cm-1 View
- 2 185.51 cm-1 View
- 3 356.44 cm-1 View
- 4 363.99 cm-1 View
- 5 486.83 cm-1 View
- 6 549.32 cm-1 View
- 7 592.46 cm-1 View
- 8 631.71 cm-1 View
- 9 655.60 cm-1 View
- 10 784.82 cm-1 View
- 11 831.62 cm-1 View
- 12 849.65 cm-1 View
- 13 945.41 cm-1 View
- 14 981.30 cm-1 View
- 15 1021.44 cm-1 View
- 16 1035.94 cm-1 View
- 17 1099.11 cm-1 View
- 18 1112.48 cm-1 View
- 19 1151.06 cm-1 View
- 20 1152.52 cm-1 View
- 21 1217.04 cm-1 View
- 22 1309.52 cm-1 View
- 23 1357.21 cm-1 View
- 24 1537.79 cm-1 View
- 25 1601.17 cm-1 View
- 26 1774.07 cm-1 View
- 27 1793.24 cm-1 View
- 28 2470.88 cm-1 View
- 29 3053.31 cm-1 View
- 30 3056.45 cm-1 View
- 31 3063.33 cm-1 View
- 32 3069.62 cm-1 View
- 33 3078.55 cm-1 View