(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 | 287.55 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 297.47 | 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 | 52.24 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 85.50 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.96 | J mol-1 K-1 |
| Rotational | 101.48 | J mol-1 K-1 |
| Vibrational | 49.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 309.73 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -10.32 | 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 -28.11 eV View
- 6 -25.40 eV View
- 7 -22.95 eV View
- 8 -18.42 eV View
- 9 -16.67 eV View
- 10 -14.97 eV View
- 11 -14.27 eV View
- 12 -13.95 eV View
- 13 -13.78 eV View
- 14 -12.42 eV View
- 15 -11.64 eV View
- 16 -7.80 eV View
- 17 8.63 eV View
- 18 15.89 eV View
- 19 18.12 eV View
- 20 18.73 eV View
- 21 18.92 eV View
- 22 19.54 eV View
- 23 19.57 eV View
- 24 20.54 eV View
- 25 20.90 eV View
- 26 21.34 eV View
- 27 26.14 eV View
- 28 28.54 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 67.90 cm-1 View
- 2 101.54 cm-1 View
- 3 267.10 cm-1 View
- 4 392.89 cm-1 View
- 5 597.29 cm-1 View
- 6 718.01 cm-1 View
- 7 900.58 cm-1 View
- 8 965.29 cm-1 View
- 9 1000.94 cm-1 View
- 10 1042.10 cm-1 View
- 11 1055.88 cm-1 View
- 12 1076.45 cm-1 View
- 13 1120.01 cm-1 View
- 14 1196.91 cm-1 View
- 15 1291.82 cm-1 View
- 16 1379.97 cm-1 View
- 17 1389.98 cm-1 View
- 18 1394.16 cm-1 View
- 19 1398.58 cm-1 View
- 20 1409.31 cm-1 View
- 21 1452.23 cm-1 View
- 22 1880.60 cm-1 View
- 23 3039.53 cm-1 View
- 24 3052.84 cm-1 View
- 25 3057.89 cm-1 View
- 26 3059.58 cm-1 View
- 27 3079.43 cm-1 View
- 28 3079.86 cm-1 View
- 29 3166.39 cm-1 View
- 30 3169.77 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 14.45 | kJ mol-1 |
| Polar Solvation Energy | -1.96 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.43 | kJ mol-1 |
| Surface Area | 76.88 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.29 | Debye |