Buta-1,2,3-triene
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 | 162.22 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 172.14 | 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 | 39.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 72.40 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.03 | J mol-1 K-1 |
| Rotational | 93.87 | J mol-1 K-1 |
| Vibrational | 25.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 277.33 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 328.72 | kJ mol-1 |
Molecular Orbitals
- 1 -300.38 eV View
- 2 -300.38 eV View
- 3 -300.04 eV View
- 4 -300.00 eV View
- 5 -27.90 eV View
- 6 -25.93 eV View
- 7 -22.42 eV View
- 8 -17.22 eV View
- 9 -15.80 eV View
- 10 -15.74 eV View
- 11 -15.08 eV View
- 12 -11.69 eV View
- 13 -8.34 eV View
- 14 -7.38 eV View
- 15 5.69 eV View
- 16 8.61 eV View
- 17 14.00 eV View
- 18 17.28 eV View
- 19 18.67 eV View
- 20 20.08 eV View
- 21 21.00 eV View
- 22 23.19 eV View
- 23 27.28 eV View
- 24 40.62 eV View