Cyclopenta-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 | 215.98 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 225.90 | 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 | 36.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 69.59 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 160.81 | J mol-1 K-1 |
| Rotational | 101.65 | J mol-1 K-1 |
| Vibrational | 12.67 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 275.14 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 66.51 | kJ mol-1 |
Molecular Orbitals
- 1 -290.96 eV View
- 2 -290.96 eV View
- 3 -290.96 eV View
- 4 -290.95 eV View
- 5 -290.95 eV View
- 6 -21.75 eV View
- 7 -16.64 eV View
- 8 -16.64 eV View
- 9 -11.34 eV View
- 10 -11.34 eV View
- 11 -10.40 eV View
- 12 -5.74 eV View
- 13 -5.74 eV View
- 14 -4.95 eV View
- 15 -4.95 eV View
- 16 -4.94 eV View
- 17 1.43 eV View
- 18 1.43 eV View
- 19 17.94 eV View
- 20 17.94 eV View
- 21 23.23 eV View
- 22 26.28 eV View
- 23 26.29 eV View
- 24 26.76 eV View
- 25 26.77 eV View
- 26 29.25 eV View
- 27 29.25 eV View
- 28 34.51 eV View
- 29 38.24 eV View
- 30 38.24 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 533.45 cm-1 View
- 2 533.60 cm-1 View
- 3 691.39 cm-1 View
- 4 736.98 cm-1 View
- 5 737.17 cm-1 View
- 6 848.67 cm-1 View
- 7 848.72 cm-1 View
- 8 868.32 cm-1 View
- 9 868.36 cm-1 View
- 10 1061.40 cm-1 View
- 11 1061.46 cm-1 View
- 12 1094.11 cm-1 View
- 13 1094.18 cm-1 View
- 14 1226.68 cm-1 View
- 15 1441.32 cm-1 View
- 16 1514.09 cm-1 View
- 17 1514.37 cm-1 View
- 18 1594.90 cm-1 View
- 19 1594.95 cm-1 View
- 20 3141.08 cm-1 View
- 21 3141.10 cm-1 View
- 22 3151.64 cm-1 View
- 23 3151.74 cm-1 View
- 24 3171.25 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -254.06 | kJ mol-1 |
| Polar Solvation Energy | -261.30 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.23 | kJ mol-1 |
| Surface Area | 82.29 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 0.03 | Debye |