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 | 224.25 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 234.16 | 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 | 42.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 75.78 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.51 | J mol-1 K-1 |
| Rotational | 99.76 | J mol-1 K-1 |
| Vibrational | 29.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 287.43 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 132.69 | kJ mol-1 |
Molecular Orbitals
- 1 -300.16 eV View
- 2 -300.15 eV View
- 3 -299.77 eV View
- 4 -299.77 eV View
- 5 -28.18 eV View
- 6 -25.45 eV View
- 7 -21.53 eV View
- 8 -18.47 eV View
- 9 -16.96 eV View
- 10 -15.18 eV View
- 11 -14.57 eV View
- 12 -12.83 eV View
- 13 -11.96 eV View
- 14 -10.46 eV View
- 15 -7.36 eV View
- 16 6.85 eV View
- 17 11.06 eV View
- 18 16.21 eV View
- 19 17.01 eV View
- 20 18.43 eV View
- 21 19.29 eV View
- 22 20.24 eV View
- 23 23.15 eV View
- 24 25.55 eV View
- 25 27.28 eV View
- 26 29.68 eV View