Buta-1,3-diene
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 | 224.63 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 234.55 | 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 | 42.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 75.77 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.51 | J mol-1 K-1 |
| Rotational | 98.60 | J mol-1 K-1 |
| Vibrational | 30.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 287.67 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 129.78 | kJ mol-1 |
Molecular Orbitals
- 1 -300.18 eV View
- 2 -300.18 eV View
- 3 -299.77 eV View
- 4 -299.76 eV View
- 5 -28.17 eV View
- 6 -25.65 eV View
- 7 -20.97 eV View
- 8 -19.23 eV View
- 9 -16.18 eV View
- 10 -15.95 eV View
- 11 -13.54 eV View
- 12 -13.46 eV View
- 13 -11.90 eV View
- 14 -10.84 eV View
- 15 -7.21 eV View
- 16 6.73 eV View
- 17 11.40 eV View
- 18 15.78 eV View
- 19 17.96 eV View
- 20 18.62 eV View
- 21 18.89 eV View
- 22 19.26 eV View
- 23 23.60 eV View
- 24 25.22 eV View
- 25 27.47 eV View
- 26 29.60 eV View