(z)-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 | 287.54 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 297.45 | 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 | 52.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 85.54 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.96 | J mol-1 K-1 |
| Rotational | 101.49 | J mol-1 K-1 |
| Vibrational | 51.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 311.88 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -10.23 | kJ mol-1 |
Molecular Orbitals
- 1 -300.38 eV View
- 2 -300.37 eV View
- 3 -299.68 eV View
- 4 -299.66 eV View
- 5 -28.10 eV View
- 6 -25.40 eV View
- 7 -22.95 eV View
- 8 -18.41 eV View
- 9 -16.67 eV View
- 10 -14.95 eV View
- 11 -14.27 eV View
- 12 -13.99 eV View
- 13 -13.75 eV View
- 14 -12.42 eV View
- 15 -11.64 eV View
- 16 -7.80 eV View
- 17 8.64 eV View
- 18 15.91 eV View
- 19 18.06 eV View
- 20 18.79 eV View
- 21 18.92 eV View
- 22 19.57 eV View
- 23 19.58 eV View
- 24 20.44 eV View
- 25 20.94 eV View
- 26 21.35 eV View
- 27 26.12 eV View
- 28 28.56 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 63.18 cm-1 View
- 2 83.13 cm-1 View
- 3 270.93 cm-1 View
- 4 392.00 cm-1 View
- 5 597.09 cm-1 View
- 6 719.17 cm-1 View
- 7 901.07 cm-1 View
- 8 964.81 cm-1 View
- 9 999.77 cm-1 View
- 10 1041.60 cm-1 View
- 11 1055.30 cm-1 View
- 12 1076.79 cm-1 View
- 13 1120.74 cm-1 View
- 14 1197.61 cm-1 View
- 15 1291.61 cm-1 View
- 16 1380.23 cm-1 View
- 17 1389.93 cm-1 View
- 18 1393.68 cm-1 View
- 19 1395.79 cm-1 View
- 20 1412.08 cm-1 View
- 21 1452.26 cm-1 View
- 22 1881.68 cm-1 View
- 23 3037.70 cm-1 View
- 24 3053.94 cm-1 View
- 25 3056.55 cm-1 View
- 26 3060.71 cm-1 View
- 27 3079.01 cm-1 View
- 28 3079.38 cm-1 View
- 29 3166.73 cm-1 View
- 30 3169.92 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 8.97 | kJ mol-1 |
| Polar Solvation Energy | -2.19 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.16 | kJ mol-1 |
| Surface Area | 82.75 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.28 | Debye |