2-chloro-6-fluorobenzaldehyde
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 | 255.86 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 265.77 | 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 | 94.27 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 127.52 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.88 | J mol-1 K-1 |
| Rotational | 125.40 | J mol-1 K-1 |
| Vibrational | 69.60 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 366.88 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -235.90 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.36 eV View
- 2 -707.19 eV View
- 3 -552.40 eV View
- 4 -303.12 eV View
- 5 -302.96 eV View
- 6 -302.45 eV View
- 7 -301.20 eV View
- 8 -301.14 eV View
- 9 -300.84 eV View
- 10 -300.81 eV View
- 11 -281.52 eV View
- 12 -211.94 eV View
- 13 -211.78 eV View
- 14 -211.77 eV View
- 15 -41.96 eV View
- 16 -36.55 eV View
- 17 -31.26 eV View
- 18 -29.04 eV View
- 19 -27.18 eV View
- 20 -25.65 eV View
- 21 -22.82 eV View
- 22 -21.28 eV View
- 23 -20.28 eV View
- 24 -18.30 eV View
- 25 -17.41 eV View
- 26 -16.76 eV View
- 27 -15.93 eV View
- 28 -15.87 eV View
- 29 -14.95 eV View
- 30 -14.52 eV View
- 31 -14.09 eV View
- 32 -13.81 eV View
- 33 -13.10 eV View
- 34 -12.28 eV View
- 35 -12.14 eV View
- 36 -11.11 eV View
- 37 -10.68 eV View
- 38 -9.06 eV View
- 39 -8.00 eV View
- 40 -7.62 eV View
- 41 5.18 eV View
- 42 6.47 eV View
- 43 9.10 eV View
- 44 11.30 eV View
- 45 13.19 eV View
- 46 14.82 eV View
- 47 16.14 eV View
- 48 16.53 eV View
- 49 17.80 eV View
- 50 19.02 eV View
- 51 19.71 eV View
- 52 21.86 eV View
- 53 22.60 eV View
- 54 23.07 eV View
- 55 23.46 eV View
- 56 26.47 eV View
- 57 29.27 eV View
- 58 29.81 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 22.85 cm-1 View
- 2 96.36 cm-1 View
- 3 190.69 cm-1 View
- 4 224.01 cm-1 View
- 5 281.10 cm-1 View
- 6 291.93 cm-1 View
- 7 358.66 cm-1 View
- 8 426.99 cm-1 View
- 9 458.84 cm-1 View
- 10 522.28 cm-1 View
- 11 570.60 cm-1 View
- 12 614.15 cm-1 View
- 13 671.37 cm-1 View
- 14 720.65 cm-1 View
- 15 830.63 cm-1 View
- 16 855.25 cm-1 View
- 17 927.37 cm-1 View
- 18 973.18 cm-1 View
- 19 988.86 cm-1 View
- 20 1008.19 cm-1 View
- 21 1120.11 cm-1 View
- 22 1142.99 cm-1 View
- 23 1182.04 cm-1 View
- 24 1238.26 cm-1 View
- 25 1317.69 cm-1 View
- 26 1319.91 cm-1 View
- 27 1430.23 cm-1 View
- 28 1573.35 cm-1 View
- 29 1672.28 cm-1 View
- 30 1769.01 cm-1 View
- 31 1798.06 cm-1 View
- 32 1973.96 cm-1 View
- 33 2941.26 cm-1 View
- 34 3050.64 cm-1 View
- 35 3060.86 cm-1 View
- 36 3073.48 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
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 |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]