But-3-enenitrile
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 | 211.23 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 221.15 | 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 | 50.19 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 83.45 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.19 | J mol-1 K-1 |
| Rotational | 105.77 | J mol-1 K-1 |
| Vibrational | 40.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 307.66 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 183.50 | kJ mol-1 |
Molecular Orbitals
- 1 -417.61 eV View
- 2 -302.46 eV View
- 3 -300.97 eV View
- 4 -300.83 eV View
- 5 -300.34 eV View
- 6 -31.71 eV View
- 7 -28.74 eV View
- 8 -25.54 eV View
- 9 -20.38 eV View
- 10 -17.99 eV View
- 11 -16.82 eV View
- 12 -15.90 eV View
- 13 -14.59 eV View
- 14 -13.19 eV View
- 15 -12.67 eV View
- 16 -10.96 eV View
- 17 -10.84 eV View
- 18 -9.14 eV View
- 19 7.89 eV View
- 20 9.73 eV View
- 21 9.97 eV View
- 22 15.46 eV View
- 23 16.85 eV View
- 24 17.80 eV View
- 25 18.44 eV View
- 26 18.84 eV View
- 27 19.24 eV View
- 28 24.85 eV View
- 29 27.35 eV View
- 30 36.57 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 65.23 cm-1 View
- 2 224.80 cm-1 View
- 3 410.49 cm-1 View
- 4 434.92 cm-1 View
- 5 533.75 cm-1 View
- 6 644.28 cm-1 View
- 7 890.89 cm-1 View
- 8 921.04 cm-1 View
- 9 957.17 cm-1 View
- 10 1016.40 cm-1 View
- 11 1032.54 cm-1 View
- 12 1053.51 cm-1 View
- 13 1166.22 cm-1 View
- 14 1206.59 cm-1 View
- 15 1307.34 cm-1 View
- 16 1357.30 cm-1 View
- 17 1386.81 cm-1 View
- 18 1859.75 cm-1 View
- 19 2462.50 cm-1 View
- 20 2935.58 cm-1 View
- 21 3002.03 cm-1 View
- 22 3048.85 cm-1 View
- 23 3132.31 cm-1 View
- 24 3145.25 cm-1 View