1,3-dichloropropa-1,2-diene
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 | 106.84 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 116.75 | 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 | 47.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 80.68 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.13 | J mol-1 K-1 |
| Rotational | 114.72 | J mol-1 K-1 |
| Vibrational | 39.75 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 321.60 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 152.36 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.53 eV View
- 2 -2820.53 eV View
- 3 -302.41 eV View
- 4 -302.41 eV View
- 5 -301.01 eV View
- 6 -281.69 eV View
- 7 -281.69 eV View
- 8 -212.11 eV View
- 9 -212.11 eV View
- 10 -211.95 eV View
- 11 -211.95 eV View
- 12 -211.94 eV View
- 13 -211.94 eV View
- 14 -30.61 eV View
- 15 -29.73 eV View
- 16 -26.28 eV View
- 17 -23.44 eV View
- 18 -18.79 eV View
- 19 -17.32 eV View
- 20 -15.06 eV View
- 21 -14.76 eV View
- 22 -12.57 eV View
- 23 -12.56 eV View
- 24 -10.75 eV View
- 25 -10.58 eV View
- 26 -8.61 eV View
- 27 -8.60 eV View
- 28 6.85 eV View
- 29 6.86 eV View
- 30 12.46 eV View
- 31 12.92 eV View
- 32 18.91 eV View
- 33 19.61 eV View
- 34 20.34 eV View
- 35 34.30 eV View
Vibrational Frequencies
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