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 | 39.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 72.41 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.03 | J mol-1 K-1 |
| Rotational | 93.89 | J mol-1 K-1 |
| Vibrational | 25.46 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 277.38 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 328.97 | kJ mol-1 |
Molecular Orbitals
- 1 -300.38 eV View
- 2 -300.37 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 -17.21 eV View
- 9 -15.80 eV View
- 10 -15.75 eV View
- 11 -15.09 eV View
- 12 -11.69 eV View
- 13 -8.35 eV View
- 14 -7.38 eV View
- 15 5.69 eV View
- 16 8.61 eV View
- 17 13.98 eV View
- 18 17.30 eV View
- 19 18.67 eV View
- 20 20.08 eV View
- 21 21.00 eV View
- 22 23.20 eV View
- 23 27.28 eV View
- 24 40.62 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
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| Translucent Molecule |
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| Property | Value | Unit |
| Total Solvation Energy | 9.07 | kJ mol-1 |
| Polar Solvation Energy | -4.26 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.29 | kJ mol-1 |
| Surface Area | 81.13 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.08 | Debye |