Hexa-1,3,5-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 | 317.51 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 327.42 | 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 | 76.92 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 110.18 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.41 | J mol-1 K-1 |
| Rotational | 110.29 | J mol-1 K-1 |
| Vibrational | 67.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 341.13 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 188.99 | kJ mol-1 |
Molecular Orbitals
- 1 -300.18 eV View
- 2 -300.15 eV View
- 3 -300.09 eV View
- 4 -300.07 eV View
- 5 -299.76 eV View
- 6 -299.70 eV View
- 7 -28.62 eV View
- 8 -27.20 eV View
- 9 -25.15 eV View
- 10 -21.39 eV View
- 11 -19.37 eV View
- 12 -19.26 eV View
- 13 -16.68 eV View
- 14 -15.83 eV View
- 15 -14.83 eV View
- 16 -13.98 eV View
- 17 -13.07 eV View
- 18 -12.58 eV View
- 19 -11.73 eV View
- 20 -11.46 eV View
- 21 -9.38 eV View
- 22 -6.29 eV View
- 23 5.73 eV View
- 24 9.49 eV View
- 25 12.28 eV View
- 26 15.31 eV View
- 27 17.14 eV View
- 28 18.21 eV View
- 29 18.67 eV View
- 30 18.73 eV View
- 31 19.08 eV View
- 32 19.13 eV View
- 33 22.92 eV View
- 34 23.96 eV View
- 35 26.24 eV View
- 36 26.89 eV View
- 37 28.61 eV View
- 38 30.39 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 8.54 | kJ mol-1 |
| Polar Solvation Energy | -4.48 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.04 | kJ mol-1 |
| Surface Area | 113.15 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.04 | Debye |