(3z)-penta-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 | 303.27 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 313.18 | 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 | 61.75 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 95.01 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.38 | J mol-1 K-1 |
| Rotational | 106.93 | J mol-1 K-1 |
| Vibrational | 45.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 313.79 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 96.27 | kJ mol-1 |
Molecular Orbitals
- 1 -300.43 eV View
- 2 -300.08 eV View
- 3 -300.01 eV View
- 4 -299.82 eV View
- 5 -299.64 eV View
- 6 -28.41 eV View
- 7 -26.34 eV View
- 8 -24.15 eV View
- 9 -20.74 eV View
- 10 -18.24 eV View
- 11 -16.86 eV View
- 12 -15.03 eV View
- 13 -14.61 eV View
- 14 -14.50 eV View
- 15 -13.75 eV View
- 16 -12.38 eV View
- 17 -11.36 eV View
- 18 -10.12 eV View
- 19 -7.04 eV View
- 20 6.87 eV View
- 21 11.08 eV View
- 22 16.03 eV View
- 23 16.90 eV View
- 24 17.60 eV View
- 25 18.72 eV View
- 26 19.44 eV View
- 27 19.60 eV View
- 28 20.63 eV View
- 29 21.35 eV View
- 30 23.83 eV View
- 31 26.12 eV View
- 32 27.27 eV View
- 33 30.34 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 100.12 cm-1 View
- 2 174.73 cm-1 View
- 3 329.01 cm-1 View
- 4 374.91 cm-1 View
- 5 418.13 cm-1 View
- 6 634.07 cm-1 View
- 7 716.61 cm-1 View
- 8 784.61 cm-1 View
- 9 935.80 cm-1 View
- 10 953.44 cm-1 View
- 11 963.85 cm-1 View
- 12 985.01 cm-1 View
- 13 1027.03 cm-1 View
- 14 1040.38 cm-1 View
- 15 1092.71 cm-1 View
- 16 1115.58 cm-1 View
- 17 1195.55 cm-1 View
- 18 1216.52 cm-1 View
- 19 1306.35 cm-1 View
- 20 1359.02 cm-1 View
- 21 1390.29 cm-1 View
- 22 1431.68 cm-1 View
- 23 1467.79 cm-1 View
- 24 1847.66 cm-1 View
- 25 1895.76 cm-1 View
- 26 3008.35 cm-1 View
- 27 3027.19 cm-1 View
- 28 3035.32 cm-1 View
- 29 3049.05 cm-1 View
- 30 3067.29 cm-1 View
- 31 3117.57 cm-1 View
- 32 3152.50 cm-1 View
- 33 3154.00 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 10.76 | kJ mol-1 |
| Polar Solvation Energy | -3.26 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.04 | kJ mol-1 |
| Surface Area | 92.93 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.37 | Debye |