2,4-dichloropyrimidine
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 | 157.89 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 167.80 | 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 | 73.19 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 106.45 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.07 | J mol-1 K-1 |
| Rotational | 123.56 | J mol-1 K-1 |
| Vibrational | 53.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 348.61 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 101.25 | kJ mol-1 |
Molecular Orbitals
- 1 -2821.17 eV View
- 2 -2821.13 eV View
- 3 -418.84 eV View
- 4 -418.64 eV View
- 5 -304.64 eV View
- 6 -304.15 eV View
- 7 -302.95 eV View
- 8 -301.89 eV View
- 9 -282.29 eV View
- 10 -282.22 eV View
- 11 -212.71 eV View
- 12 -212.64 eV View
- 13 -212.55 eV View
- 14 -212.54 eV View
- 15 -212.48 eV View
- 16 -212.47 eV View
- 17 -35.22 eV View
- 18 -32.00 eV View
- 19 -30.41 eV View
- 20 -28.83 eV View
- 21 -27.16 eV View
- 22 -23.02 eV View
- 23 -21.96 eV View
- 24 -18.37 eV View
- 25 -18.08 eV View
- 26 -16.54 eV View
- 27 -15.72 eV View
- 28 -15.13 eV View
- 29 -14.35 eV View
- 30 -13.02 eV View
- 31 -11.68 eV View
- 32 -11.55 eV View
- 33 -11.19 eV View
- 34 -10.91 eV View
- 35 -9.64 eV View
- 36 -9.63 eV View
- 37 -8.68 eV View
- 38 5.10 eV View
- 39 5.22 eV View
- 40 10.27 eV View
- 41 11.25 eV View
- 42 11.40 eV View
- 43 15.66 eV View
- 44 17.30 eV View
- 45 18.32 eV View
- 46 18.96 eV View
- 47 21.26 eV View
- 48 21.86 eV View
- 49 26.14 eV View
- 50 27.31 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 161.47 cm-1 View
- 2 174.81 cm-1 View
- 3 195.22 cm-1 View
- 4 362.83 cm-1 View
- 5 398.77 cm-1 View
- 6 413.38 cm-1 View
- 7 425.47 cm-1 View
- 8 572.30 cm-1 View
- 9 688.24 cm-1 View
- 10 733.31 cm-1 View
- 11 772.00 cm-1 View
- 12 847.16 cm-1 View
- 13 977.27 cm-1 View
- 14 1010.62 cm-1 View
- 15 1086.55 cm-1 View
- 16 1089.33 cm-1 View
- 17 1119.44 cm-1 View
- 18 1275.55 cm-1 View
- 19 1414.55 cm-1 View
- 20 1494.80 cm-1 View
- 21 1707.51 cm-1 View
- 22 1713.22 cm-1 View
- 23 3031.10 cm-1 View
- 24 3082.24 cm-1 View