1-chlorobut-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 | 266.43 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 276.34 | 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 | 63.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 96.69 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.87 | J mol-1 K-1 |
| Rotational | 111.66 | J mol-1 K-1 |
| Vibrational | 60.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 336.83 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -29.75 | kJ mol-1 |
Molecular Orbitals
- 1 -2818.83 eV View
- 2 -302.34 eV View
- 3 -300.72 eV View
- 4 -300.42 eV View
- 5 -300.27 eV View
- 6 -280.13 eV View
- 7 -210.55 eV View
- 8 -210.40 eV View
- 9 -210.39 eV View
- 10 -29.44 eV View
- 11 -27.63 eV View
- 12 -24.91 eV View
- 13 -22.19 eV View
- 14 -19.71 eV View
- 15 -16.33 eV View
- 16 -16.25 eV View
- 17 -14.88 eV View
- 18 -14.42 eV View
- 19 -13.56 eV View
- 20 -12.72 eV View
- 21 -12.39 eV View
- 22 -9.75 eV View
- 23 -9.59 eV View
- 24 -8.28 eV View
- 25 7.78 eV View
- 26 11.40 eV View
- 27 15.72 eV View
- 28 17.52 eV View
- 29 18.30 eV View
- 30 18.65 eV View
- 31 18.90 eV View
- 32 19.32 eV View
- 33 19.64 eV View
- 34 20.37 eV View
- 35 25.23 eV View
- 36 28.26 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 62.47 cm-1 View
- 2 127.58 cm-1 View
- 3 166.37 cm-1 View
- 4 282.57 cm-1 View
- 5 357.71 cm-1 View
- 6 509.28 cm-1 View
- 7 688.44 cm-1 View
- 8 838.21 cm-1 View
- 9 901.98 cm-1 View
- 10 938.03 cm-1 View
- 11 965.83 cm-1 View
- 12 1029.85 cm-1 View
- 13 1066.28 cm-1 View
- 14 1150.06 cm-1 View
- 15 1191.77 cm-1 View
- 16 1201.48 cm-1 View
- 17 1244.49 cm-1 View
- 18 1299.33 cm-1 View
- 19 1381.96 cm-1 View
- 20 1393.57 cm-1 View
- 21 1395.09 cm-1 View
- 22 1429.53 cm-1 View
- 23 1886.95 cm-1 View
- 24 2997.10 cm-1 View
- 25 3035.84 cm-1 View
- 26 3042.53 cm-1 View
- 27 3051.81 cm-1 View
- 28 3070.86 cm-1 View
- 29 3077.15 cm-1 View
- 30 3170.10 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |