Ethenylbenzene
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 | 356.01 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 365.93 | 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 | 85.91 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 119.17 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.68 | J mol-1 K-1 |
| Rotational | 116.66 | J mol-1 K-1 |
| Vibrational | 64.82 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 348.16 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 165.24 | kJ mol-1 |
Molecular Orbitals
- 1 -300.37 eV View
- 2 -300.16 eV View
- 3 -300.11 eV View
- 4 -300.10 eV View
- 5 -300.09 eV View
- 6 -300.07 eV View
- 7 -300.06 eV View
- 8 -299.75 eV View
- 9 -29.93 eV View
- 10 -27.57 eV View
- 11 -26.02 eV View
- 12 -25.25 eV View
- 13 -21.54 eV View
- 14 -20.88 eV View
- 15 -19.33 eV View
- 16 -17.66 eV View
- 17 -16.29 eV View
- 18 -15.66 eV View
- 19 -15.02 eV View
- 20 -14.46 eV View
- 21 -14.21 eV View
- 22 -12.88 eV View
- 23 -12.61 eV View
- 24 -11.66 eV View
- 25 -11.50 eV View
- 26 -9.61 eV View
- 27 -7.67 eV View
- 28 -6.76 eV View
- 29 6.28 eV View
- 30 7.37 eV View
- 31 9.83 eV View
- 32 14.05 eV View
- 33 15.56 eV View
- 34 16.44 eV View
- 35 17.47 eV View
- 36 18.08 eV View
- 37 18.72 eV View
- 38 19.36 eV View
- 39 19.83 eV View
- 40 20.35 eV View
- 41 22.83 eV View
- 42 23.76 eV View
- 43 24.12 eV View
- 44 24.57 eV View
- 45 26.27 eV View
- 46 27.76 eV View
- 47 30.47 eV View
- 48 31.47 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 43.89 cm-1 View
- 2 169.20 cm-1 View
- 3 241.72 cm-1 View
- 4 355.97 cm-1 View
- 5 400.32 cm-1 View
- 6 473.29 cm-1 View
- 7 563.66 cm-1 View
- 8 606.61 cm-1 View
- 9 628.52 cm-1 View
- 10 677.67 cm-1 View
- 11 782.79 cm-1 View
- 12 840.24 cm-1 View
- 13 846.89 cm-1 View
- 14 915.76 cm-1 View
- 15 949.22 cm-1 View
- 16 976.14 cm-1 View
- 17 988.88 cm-1 View
- 18 1014.24 cm-1 View
- 19 1029.75 cm-1 View
- 20 1049.63 cm-1 View
- 21 1098.59 cm-1 View
- 22 1118.14 cm-1 View
- 23 1151.20 cm-1 View
- 24 1154.79 cm-1 View
- 25 1202.87 cm-1 View
- 26 1227.34 cm-1 View
- 27 1302.49 cm-1 View
- 28 1318.14 cm-1 View
- 29 1392.40 cm-1 View
- 30 1539.59 cm-1 View
- 31 1606.66 cm-1 View
- 32 1777.32 cm-1 View
- 33 1797.69 cm-1 View
- 34 1858.99 cm-1 View
- 35 3029.14 cm-1 View
- 36 3045.89 cm-1 View
- 37 3052.30 cm-1 View
- 38 3059.98 cm-1 View
- 39 3067.54 cm-1 View
- 40 3079.51 cm-1 View
- 41 3130.61 cm-1 View
- 42 3146.40 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 2.85 | kJ mol-1 |
| Polar Solvation Energy | -6.66 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.53 | kJ mol-1 |
| Surface Area | 118.33 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.07 | Debye |