Buta-1,3-diyne
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 2.48 | kJ mol-1 |
| Vibrational | 108.78 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 117.45 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 8.31 | J mol-1 K-1 |
| Vibrational | 34.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 63.52 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.54 | J mol-1 K-1 |
| Rotational | 62.75 | J mol-1 K-1 |
| Vibrational | 21.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 241.88 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 428.31 | kJ mol-1 |
Molecular Orbitals
- 1 -300.28 eV View
- 2 -300.27 eV View
- 3 -299.82 eV View
- 4 -299.82 eV View
- 5 -27.65 eV View
- 6 -25.84 eV View
- 7 -20.92 eV View
- 8 -18.14 eV View
- 9 -17.00 eV View
- 10 -11.94 eV View
- 11 -11.94 eV View
- 12 -8.35 eV View
- 13 -8.35 eV View
- 14 7.64 eV View
- 15 7.64 eV View
- 16 14.61 eV View
- 17 14.61 eV View
- 18 14.65 eV View
- 19 16.80 eV View
- 20 21.19 eV View
- 21 36.37 eV View
- 22 44.90 eV View
Vibrational Frequencies
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