(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 | 282.67 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 292.58 | 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 | 36.99 | 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 | 20.56 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 280.10 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -10.40 | 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 -15.40 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 8.57 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 20.06 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 15.66 cm-1 View
- 2 59.34 cm-1 View
- 3 239.55 cm-1 View
- 4 289.21 cm-1 View
- 5 512.50 cm-1 View
- 6 804.63 cm-1 View
- 7 893.00 cm-1 View
- 8 957.13 cm-1 View
- 9 994.49 cm-1 View
- 10 1002.21 cm-1 View
- 11 1057.96 cm-1 View
- 12 1136.18 cm-1 View
- 13 1170.40 cm-1 View
- 14 1229.60 cm-1 View
- 15 1243.46 cm-1 View
- 16 1383.79 cm-1 View
- 17 1388.30 cm-1 View
- 18 1399.64 cm-1 View
- 19 1399.66 cm-1 View
- 20 1411.95 cm-1 View
- 21 1432.67 cm-1 View
- 22 1884.35 cm-1 View
- 23 3047.28 cm-1 View
- 24 3048.44 cm-1 View
- 25 3069.52 cm-1 View
- 26 3069.70 cm-1 View
- 27 3081.43 cm-1 View
- 28 3081.63 cm-1 View
- 29 3175.64 cm-1 View
- 30 3175.73 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 10.12 | kJ mol-1 |
| Polar Solvation Energy | -2.11 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.25 | kJ mol-1 |
| Surface Area | 83.08 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |