Propanoyl chloride
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 | 204.10 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 214.01 | 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 | 57.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 90.30 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.14 | J mol-1 K-1 |
| Rotational | 110.85 | J mol-1 K-1 |
| Vibrational | 53.66 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 329.64 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -241.43 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.15 eV View
- 2 -553.49 eV View
- 3 -304.65 eV View
- 4 -301.92 eV View
- 5 -301.09 eV View
- 6 -280.48 eV View
- 7 -210.88 eV View
- 8 -210.74 eV View
- 9 -210.73 eV View
- 10 -37.67 eV View
- 11 -28.86 eV View
- 12 -27.44 eV View
- 13 -23.51 eV View
- 14 -19.02 eV View
- 15 -17.00 eV View
- 16 -16.88 eV View
- 17 -15.53 eV View
- 18 -14.27 eV View
- 19 -14.09 eV View
- 20 -13.41 eV View
- 21 -12.52 eV View
- 22 -10.18 eV View
- 23 -9.99 eV View
- 24 -9.60 eV View
- 25 7.05 eV View
- 26 10.08 eV View
- 27 16.36 eV View
- 28 16.68 eV View
- 29 17.44 eV View
- 30 18.96 eV View
- 31 20.00 eV View
- 32 20.32 eV View
- 33 20.39 eV View
- 34 26.42 eV 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 |