2-chloropyrimidine-5-carbonyl 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 | 189.09 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 199.01 | 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 | 100.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 133.68 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 173.23 | J mol-1 K-1 |
| Rotational | 128.48 | J mol-1 K-1 |
| Vibrational | 100.13 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 401.84 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -40.50 | kJ mol-1 |
Molecular Orbitals
- 1 -2821.45 eV View
- 2 -2820.08 eV View
- 3 -554.01 eV View
- 4 -418.92 eV View
- 5 -418.90 eV View
- 6 -305.34 eV View
- 7 -304.92 eV View
- 8 -303.34 eV View
- 9 -303.27 eV View
- 10 -302.39 eV View
- 11 -282.52 eV View
- 12 -281.35 eV View
- 13 -212.95 eV View
- 14 -212.78 eV View
- 15 -212.77 eV View
- 16 -211.76 eV View
- 17 -211.61 eV View
- 18 -211.61 eV View
- 19 -38.16 eV View
- 20 -35.32 eV View
- 21 -31.77 eV View
- 22 -30.47 eV View
- 23 -29.11 eV View
- 24 -27.71 eV View
- 25 -23.78 eV View
- 26 -23.31 eV View
- 27 -20.51 eV View
- 28 -18.57 eV View
- 29 -18.48 eV View
- 30 -17.04 eV View
- 31 -16.05 eV View
- 32 -15.95 eV View
- 33 -15.31 eV View
- 34 -14.88 eV View
- 35 -14.70 eV View
- 36 -12.18 eV View
- 37 -12.08 eV View
- 38 -11.29 eV View
- 39 -10.82 eV View
- 40 -10.62 eV View
- 41 -10.47 eV View
- 42 -10.23 eV View
- 43 -9.69 eV View
- 44 -8.94 eV View
- 45 3.77 eV View
- 46 5.06 eV View
- 47 7.59 eV View
- 48 9.59 eV View
- 49 10.71 eV View
- 50 11.81 eV View
- 51 15.00 eV View
- 52 16.28 eV View
- 53 17.16 eV View
- 54 18.40 eV View
- 55 19.12 eV View
- 56 20.84 eV View
- 57 21.99 eV View
- 58 24.97 eV View
- 59 26.41 eV View
- 60 27.96 eV View