3-hydroxypropanal
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 | 239.04 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 248.96 | 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 | 58.13 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 91.39 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.43 | J mol-1 K-1 |
| Rotational | 106.55 | J mol-1 K-1 |
| Vibrational | 60.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 329.35 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -365.70 | kJ mol-1 |
Molecular Orbitals
- 1 -552.12 eV View
- 2 -551.27 eV View
- 3 -302.64 eV View
- 4 -302.19 eV View
- 5 -300.98 eV View
- 6 -36.33 eV View
- 7 -35.46 eV View
- 8 -27.26 eV View
- 9 -22.51 eV View
- 10 -20.38 eV View
- 11 -17.51 eV View
- 12 -16.71 eV View
- 13 -15.65 eV View
- 14 -14.84 eV View
- 15 -14.05 eV View
- 16 -13.11 eV View
- 17 -11.61 eV View
- 18 -11.07 eV View
- 19 -9.82 eV View
- 20 -9.13 eV View
- 21 7.95 eV View
- 22 15.22 eV View
- 23 16.10 eV View
- 24 17.24 eV View
- 25 18.34 eV View
- 26 19.11 eV View
- 27 19.19 eV View
- 28 20.37 eV View
- 29 20.72 eV View
- 30 21.50 eV View
- 31 26.73 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
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| Translucent Molecule |
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| Property | Value | Unit |
| Total Solvation Energy | -9.52 | kJ mol-1 |
| Polar Solvation Energy | -24.41 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.84 | kJ mol-1 |
| Surface Area | 90.79 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.56 | Debye |