5-methylcyclopenta-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 | 253.95 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 263.87 | 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 | 59.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 92.59 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.09 | J mol-1 K-1 |
| Rotational | 107.76 | J mol-1 K-1 |
| Vibrational | 32.54 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 303.39 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 559.97 | kJ mol-1 |
Molecular Orbitals
- 1 -300.99 eV View
- 2 -299.94 eV View
- 3 -299.88 eV View
- 4 -299.86 eV View
- 5 -299.72 eV View
- 6 -299.11 eV View
- 7 -30.15 eV View
- 8 -26.25 eV View
- 9 -24.80 eV View
- 10 -21.32 eV View
- 11 -18.84 eV View
- 12 -18.48 eV View
- 13 -17.56 eV View
- 14 -14.60 eV View
- 15 -13.89 eV View
- 16 -13.48 eV View
- 17 -12.66 eV View
- 18 -12.27 eV View
- 19 -9.99 eV View
- 20 -7.64 eV View
- 21 -6.71 eV View
- 22 6.36 eV View
- 23 6.86 eV View
- 24 10.98 eV View
- 25 15.85 eV View
- 26 16.57 eV View
- 27 17.79 eV View
- 28 18.36 eV View
- 29 18.69 eV View
- 30 19.75 eV View
- 31 20.64 eV View
- 32 21.86 eV View
- 33 22.59 eV View
- 34 25.44 eV View
- 35 27.51 eV View
- 36 30.50 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 181.12 cm-1 View
- 2 297.93 cm-1 View
- 3 428.19 cm-1 View
- 4 500.60 cm-1 View
- 5 515.84 cm-1 View
- 6 735.25 cm-1 View
- 7 741.20 cm-1 View
- 8 805.52 cm-1 View
- 9 816.88 cm-1 View
- 10 846.13 cm-1 View
- 11 953.39 cm-1 View
- 12 963.62 cm-1 View
- 13 985.17 cm-1 View
- 14 1001.70 cm-1 View
- 15 1008.43 cm-1 View
- 16 1080.43 cm-1 View
- 17 1089.21 cm-1 View
- 18 1146.68 cm-1 View
- 19 1203.85 cm-1 View
- 20 1313.11 cm-1 View
- 21 1400.03 cm-1 View
- 22 1481.69 cm-1 View
- 23 1725.94 cm-1 View
- 24 1789.02 cm-1 View
- 25 2828.60 cm-1 View
- 26 2972.15 cm-1 View
- 27 3130.94 cm-1 View
- 28 3133.67 cm-1 View
- 29 3145.83 cm-1 View
- 30 3155.55 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -1.40 | kJ mol-1 |
| Polar Solvation Energy | -15.37 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.96 | kJ mol-1 |
| Surface Area | 101.60 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.06 | Debye |