3-phenylprop-2-enal
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 | 384.38 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 394.29 | 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 | 103.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 137.10 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.65 | J mol-1 K-1 |
| Rotational | 124.52 | J mol-1 K-1 |
| Vibrational | 83.71 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 377.88 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 18.34 | kJ mol-1 |
Molecular Orbitals
- 1 -551.88 eV View
- 2 -302.55 eV View
- 3 -300.72 eV View
- 4 -300.64 eV View
- 5 -300.35 eV View
- 6 -300.35 eV View
- 7 -300.35 eV View
- 8 -300.33 eV View
- 9 -300.32 eV View
- 10 -300.22 eV View
- 11 -36.14 eV View
- 12 -30.21 eV View
- 13 -28.13 eV View
- 14 -26.26 eV View
- 15 -25.91 eV View
- 16 -22.49 eV View
- 17 -21.29 eV View
- 18 -20.31 eV View
- 19 -19.55 eV View
- 20 -17.92 eV View
- 21 -16.75 eV View
- 22 -16.22 eV View
- 23 -15.31 eV View
- 24 -15.04 eV View
- 25 -14.68 eV View
- 26 -13.88 eV View
- 27 -13.49 eV View
- 28 -13.03 eV View
- 29 -12.45 eV View
- 30 -11.96 eV View
- 31 -11.85 eV View
- 32 -9.53 eV View
- 33 -9.09 eV View
- 34 -7.89 eV View
- 35 -6.86 eV View
- 36 5.14 eV View
- 37 7.15 eV View
- 38 8.02 eV View
- 39 11.00 eV View
- 40 13.86 eV View
- 41 15.36 eV View
- 42 15.92 eV View
- 43 17.07 eV View
- 44 17.43 eV View
- 45 17.86 eV View
- 46 18.75 eV View
- 47 19.44 eV View
- 48 19.66 eV View
- 49 20.79 eV View
- 50 22.30 eV View
- 51 23.37 eV View
- 52 23.86 eV View
- 53 24.19 eV View
- 54 25.17 eV View
- 55 26.32 eV View
- 56 28.74 eV View
- 57 30.48 eV View
- 58 31.23 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 29.40 cm-1 View
- 2 67.83 cm-1 View
- 3 99.38 cm-1 View
- 4 136.87 cm-1 View
- 5 253.21 cm-1 View
- 6 320.63 cm-1 View
- 7 355.03 cm-1 View
- 8 369.00 cm-1 View
- 9 471.57 cm-1 View
- 10 573.09 cm-1 View
- 11 619.11 cm-1 View
- 12 629.33 cm-1 View
- 13 645.60 cm-1 View
- 14 768.93 cm-1 View
- 15 844.77 cm-1 View
- 16 866.22 cm-1 View
- 17 899.38 cm-1 View
- 18 914.46 cm-1 View
- 19 956.12 cm-1 View
- 20 976.78 cm-1 View
- 21 1010.86 cm-1 View
- 22 1020.79 cm-1 View
- 23 1044.14 cm-1 View
- 24 1088.55 cm-1 View
- 25 1115.96 cm-1 View
- 26 1142.24 cm-1 View
- 27 1153.82 cm-1 View
- 28 1157.93 cm-1 View
- 29 1167.71 cm-1 View
- 30 1216.83 cm-1 View
- 31 1241.17 cm-1 View
- 32 1260.35 cm-1 View
- 33 1320.61 cm-1 View
- 34 1390.90 cm-1 View
- 35 1540.69 cm-1 View
- 36 1607.36 cm-1 View
- 37 1776.74 cm-1 View
- 38 1796.31 cm-1 View
- 39 1868.43 cm-1 View
- 40 1972.60 cm-1 View
- 41 2923.14 cm-1 View
- 42 3009.88 cm-1 View
- 43 3030.10 cm-1 View
- 44 3042.69 cm-1 View
- 45 3051.17 cm-1 View
- 46 3058.37 cm-1 View
- 47 3066.56 cm-1 View
- 48 3078.23 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 1.31 | kJ mol-1 |
| Polar Solvation Energy | -19.10 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.44 | kJ mol-1 |
| Surface Area | 122.66 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.16 | Debye |