Terephthalaldehyde
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 | 325.70 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 335.61 | 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 | 105.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 138.41 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.83 | J mol-1 K-1 |
| Rotational | 123.40 | J mol-1 K-1 |
| Vibrational | 97.24 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 390.48 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -183.44 | kJ mol-1 |
Molecular Orbitals
- 1 -552.30 eV View
- 2 -552.30 eV View
- 3 -302.83 eV View
- 4 -302.83 eV View
- 5 -300.86 eV View
- 6 -300.86 eV View
- 7 -300.75 eV View
- 8 -300.74 eV View
- 9 -300.73 eV View
- 10 -300.72 eV View
- 11 -36.48 eV View
- 12 -36.47 eV View
- 13 -30.44 eV View
- 14 -27.31 eV View
- 15 -26.60 eV View
- 16 -23.45 eV View
- 17 -21.89 eV View
- 18 -20.58 eV View
- 19 -19.93 eV View
- 20 -18.24 eV View
- 21 -17.04 eV View
- 22 -16.21 eV View
- 23 -15.72 eV View
- 24 -15.04 eV View
- 25 -14.64 eV View
- 26 -14.45 eV View
- 27 -13.91 eV View
- 28 -13.14 eV View
- 29 -12.83 eV View
- 30 -12.18 eV View
- 31 -11.40 eV View
- 32 -9.43 eV View
- 33 -9.32 eV View
- 34 -8.20 eV View
- 35 -7.72 eV View
- 36 4.76 eV View
- 37 6.85 eV View
- 38 7.77 eV View
- 39 10.32 eV View
- 40 13.99 eV View
- 41 15.23 eV View
- 42 16.11 eV View
- 43 16.60 eV View
- 44 17.94 eV View
- 45 18.47 eV View
- 46 18.89 eV View
- 47 19.82 eV View
- 48 20.15 eV View
- 49 22.27 eV View
- 50 23.05 eV View
- 51 23.83 eV View
- 52 24.05 eV View
- 53 25.92 eV View
- 54 27.88 eV View
- 55 30.34 eV View
- 56 30.67 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 49.44 cm-1 View
- 2 65.82 cm-1 View
- 3 134.88 cm-1 View
- 4 177.07 cm-1 View
- 5 287.38 cm-1 View
- 6 288.82 cm-1 View
- 7 356.32 cm-1 View
- 8 380.80 cm-1 View
- 9 496.81 cm-1 View
- 10 568.77 cm-1 View
- 11 634.45 cm-1 View
- 12 639.56 cm-1 View
- 13 664.21 cm-1 View
- 14 810.29 cm-1 View
- 15 833.77 cm-1 View
- 16 855.18 cm-1 View
- 17 944.96 cm-1 View
- 18 973.51 cm-1 View
- 19 985.91 cm-1 View
- 20 990.99 cm-1 View
- 21 1028.06 cm-1 View
- 22 1054.95 cm-1 View
- 23 1141.39 cm-1 View
- 24 1164.58 cm-1 View
- 25 1177.47 cm-1 View
- 26 1213.14 cm-1 View
- 27 1227.02 cm-1 View
- 28 1259.60 cm-1 View
- 29 1331.65 cm-1 View
- 30 1422.20 cm-1 View
- 31 1535.52 cm-1 View
- 32 1623.34 cm-1 View
- 33 1780.47 cm-1 View
- 34 1806.04 cm-1 View
- 35 1972.15 cm-1 View
- 36 1977.95 cm-1 View
- 37 2923.46 cm-1 View
- 38 2923.98 cm-1 View
- 39 3038.45 cm-1 View
- 40 3040.94 cm-1 View
- 41 3051.71 cm-1 View
- 42 3056.24 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -12.60 | kJ mol-1 |
| Polar Solvation Energy | -26.44 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.84 | kJ mol-1 |
| Surface Area | 123.40 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.55 | Debye |