Hexa-1,3,5-triene
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.) | 327.43 | 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 | 76.93 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 110.19 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.41 | J mol-1 K-1 |
| Rotational | 110.28 | J mol-1 K-1 |
| Vibrational | 67.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 341.50 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 188.48 | kJ mol-1 |
Molecular Orbitals
- 1 -300.17 eV View
- 2 -300.16 eV View
- 3 -300.10 eV View
- 4 -300.07 eV View
- 5 -299.75 eV View
- 6 -299.72 eV View
- 7 -28.62 eV View
- 8 -27.20 eV View
- 9 -25.15 eV View
- 10 -21.40 eV View
- 11 -19.37 eV View
- 12 -19.26 eV View
- 13 -16.67 eV View
- 14 -15.83 eV View
- 15 -14.83 eV View
- 16 -13.98 eV View
- 17 -13.06 eV View
- 18 -12.58 eV View
- 19 -11.72 eV View
- 20 -11.47 eV View
- 21 -9.38 eV View
- 22 -6.29 eV View
- 23 5.72 eV View
- 24 9.49 eV View
- 25 12.29 eV View
- 26 15.31 eV View
- 27 17.14 eV View
- 28 18.20 eV View
- 29 18.69 eV View
- 30 18.71 eV View
- 31 19.08 eV View
- 32 19.13 eV View
- 33 22.94 eV View
- 34 23.94 eV View
- 35 26.27 eV View
- 36 26.86 eV View
- 37 28.62 eV View
- 38 30.37 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 65.30 cm-1 View
- 2 111.71 cm-1 View
- 3 172.23 cm-1 View
- 4 222.04 cm-1 View
- 5 379.76 cm-1 View
- 6 472.51 cm-1 View
- 7 555.70 cm-1 View
- 8 578.73 cm-1 View
- 9 652.07 cm-1 View
- 10 902.38 cm-1 View
- 11 920.05 cm-1 View
- 12 934.11 cm-1 View
- 13 935.34 cm-1 View
- 14 959.12 cm-1 View
- 15 964.79 cm-1 View
- 16 1027.72 cm-1 View
- 17 1036.37 cm-1 View
- 18 1169.60 cm-1 View
- 19 1175.27 cm-1 View
- 20 1225.60 cm-1 View
- 21 1238.62 cm-1 View
- 22 1280.34 cm-1 View
- 23 1284.45 cm-1 View
- 24 1347.32 cm-1 View
- 25 1386.93 cm-1 View
- 26 1821.72 cm-1 View
- 27 1855.88 cm-1 View
- 28 1873.06 cm-1 View
- 29 3026.89 cm-1 View
- 30 3030.22 cm-1 View
- 31 3037.49 cm-1 View
- 32 3040.07 cm-1 View
- 33 3134.72 cm-1 View
- 34 3139.07 cm-1 View
- 35 3145.29 cm-1 View
- 36 3148.67 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]