(e)-but-2-ene
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 | 288.04 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 297.95 | 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 | 52.56 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 85.81 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.96 | J mol-1 K-1 |
| Rotational | 100.59 | J mol-1 K-1 |
| Vibrational | 44.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 303.84 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -15.75 | kJ mol-1 |
Molecular Orbitals
- 1 -300.36 eV View
- 2 -300.36 eV View
- 3 -299.72 eV View
- 4 -299.70 eV View
- 5 -28.05 eV View
- 6 -25.65 eV View
- 7 -22.55 eV View
- 8 -19.09 eV View
- 9 -15.47 eV View
- 10 -15.38 eV View
- 11 -14.74 eV View
- 12 -14.22 eV View
- 13 -13.18 eV View
- 14 -12.41 eV View
- 15 -11.88 eV View
- 16 -7.81 eV View
- 17 8.77 eV View
- 18 16.15 eV View
- 19 18.03 eV View
- 20 18.98 eV View
- 21 19.42 eV View
- 22 19.58 eV View
- 23 19.84 eV View
- 24 19.99 eV View
- 25 20.21 eV View
- 26 21.09 eV View
- 27 25.87 eV View
- 28 28.96 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 121.56 cm-1 View
- 2 144.31 cm-1 View
- 3 235.69 cm-1 View
- 4 310.28 cm-1 View
- 5 533.75 cm-1 View
- 6 816.05 cm-1 View
- 7 914.26 cm-1 View
- 8 941.17 cm-1 View
- 9 986.35 cm-1 View
- 10 992.39 cm-1 View
- 11 1047.12 cm-1 View
- 12 1152.15 cm-1 View
- 13 1199.92 cm-1 View
- 14 1237.37 cm-1 View
- 15 1245.85 cm-1 View
- 16 1386.77 cm-1 View
- 17 1393.93 cm-1 View
- 18 1397.29 cm-1 View
- 19 1397.34 cm-1 View
- 20 1412.07 cm-1 View
- 21 1439.30 cm-1 View
- 22 1890.33 cm-1 View
- 23 3039.47 cm-1 View
- 24 3039.98 cm-1 View
- 25 3069.64 cm-1 View
- 26 3069.82 cm-1 View
- 27 3075.12 cm-1 View
- 28 3076.06 cm-1 View
- 29 3169.49 cm-1 View
- 30 3169.54 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 7.23 | kJ mol-1 |
| Polar Solvation Energy | -2.27 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.49 | kJ mol-1 |
| Surface Area | 83.00 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]