(e)-3-hydroxyprop-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 | 181.06 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 190.98 | 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 | 48.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 82.07 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.09 | J mol-1 K-1 |
| Rotational | 104.56 | J mol-1 K-1 |
| Vibrational | 39.11 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 305.76 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -284.21 | kJ mol-1 |
Molecular Orbitals
- 1 -553.09 eV View
- 2 -551.54 eV View
- 3 -302.60 eV View
- 4 -302.47 eV View
- 5 -299.82 eV View
- 6 -36.99 eV View
- 7 -35.93 eV View
- 8 -27.24 eV View
- 9 -22.11 eV View
- 10 -20.34 eV View
- 11 -17.82 eV View
- 12 -16.58 eV View
- 13 -14.30 eV View
- 14 -14.14 eV View
- 15 -14.08 eV View
- 16 -12.62 eV View
- 17 -12.18 eV View
- 18 -8.94 eV View
- 19 -7.47 eV View
- 20 6.39 eV View
- 21 10.90 eV View
- 22 15.26 eV View
- 23 15.83 eV View
- 24 17.50 eV View
- 25 19.01 eV View
- 26 20.58 eV View
- 27 23.97 eV View
- 28 25.41 eV View
- 29 29.17 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 99.74 cm-1 View
- 2 248.60 cm-1 View
- 3 264.27 cm-1 View
- 4 457.92 cm-1 View
- 5 511.98 cm-1 View
- 6 575.97 cm-1 View
- 7 853.76 cm-1 View
- 8 914.42 cm-1 View
- 9 996.89 cm-1 View
- 10 1078.80 cm-1 View
- 11 1179.66 cm-1 View
- 12 1208.64 cm-1 View
- 13 1250.66 cm-1 View
- 14 1379.28 cm-1 View
- 15 1428.15 cm-1 View
- 16 1835.97 cm-1 View
- 17 1969.69 cm-1 View
- 18 2922.75 cm-1 View
- 19 3046.20 cm-1 View
- 20 3054.97 cm-1 View
- 21 3859.72 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -16.34 | kJ mol-1 |
| Polar Solvation Energy | -25.65 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.36 | kJ mol-1 |
| Surface Area | 88.19 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.57 | Debye |