(e)-but-2-ene
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 | 282.66 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 292.57 | 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 | 37.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 70.25 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.96 | J mol-1 K-1 |
| Rotational | 100.58 | J mol-1 K-1 |
| Vibrational | 20.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 280.11 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -10.39 | kJ mol-1 |
Molecular Orbitals
- 1 -300.34 eV View
- 2 -300.34 eV View
- 3 -299.68 eV View
- 4 -299.66 eV View
- 5 -28.03 eV View
- 6 -25.62 eV View
- 7 -22.54 eV View
- 8 -19.03 eV View
- 9 -15.48 eV View
- 10 -15.41 eV View
- 11 -14.73 eV View
- 12 -14.19 eV View
- 13 -13.24 eV View
- 14 -12.36 eV View
- 15 -11.81 eV View
- 16 -7.74 eV View
- 17 8.56 eV View
- 18 16.13 eV View
- 19 17.44 eV View
- 20 19.29 eV View
- 21 19.31 eV View
- 22 19.81 eV View
- 23 20.07 eV View
- 24 20.14 eV View
- 25 20.27 eV View
- 26 21.38 eV View
- 27 26.07 eV View
- 28 28.44 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 16.14 cm-1 View
- 2 55.85 cm-1 View
- 3 239.36 cm-1 View
- 4 289.25 cm-1 View
- 5 512.59 cm-1 View
- 6 804.33 cm-1 View
- 7 892.96 cm-1 View
- 8 957.07 cm-1 View
- 9 994.23 cm-1 View
- 10 1002.13 cm-1 View
- 11 1057.83 cm-1 View
- 12 1136.20 cm-1 View
- 13 1170.18 cm-1 View
- 14 1229.51 cm-1 View
- 15 1243.45 cm-1 View
- 16 1383.99 cm-1 View
- 17 1388.49 cm-1 View
- 18 1399.44 cm-1 View
- 19 1399.57 cm-1 View
- 20 1411.97 cm-1 View
- 21 1432.74 cm-1 View
- 22 1884.33 cm-1 View
- 23 3047.52 cm-1 View
- 24 3048.68 cm-1 View
- 25 3069.11 cm-1 View
- 26 3069.47 cm-1 View
- 27 3081.32 cm-1 View
- 28 3081.52 cm-1 View
- 29 3175.54 cm-1 View
- 30 3175.68 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 13.62 | kJ mol-1 |
| Polar Solvation Energy | -1.93 | kJ mol-1 |
| Nonpolar Solvation Energy | 15.55 | kJ mol-1 |
| Surface Area | 77.48 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |