Propanoic acid
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 | 243.70 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 253.61 | 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 | 56.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 90.15 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.43 | J mol-1 K-1 |
| Rotational | 106.82 | J mol-1 K-1 |
| Vibrational | 53.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 322.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -444.66 | kJ mol-1 |
Molecular Orbitals
- 1 -552.08 eV View
- 2 -550.72 eV View
- 3 -303.87 eV View
- 4 -301.35 eV View
- 5 -300.81 eV View
- 6 -37.65 eV View
- 7 -34.34 eV View
- 8 -27.84 eV View
- 9 -23.35 eV View
- 10 -19.87 eV View
- 11 -17.08 eV View
- 12 -16.17 eV View
- 13 -15.42 eV View
- 14 -15.02 eV View
- 15 -13.94 eV View
- 16 -12.98 eV View
- 17 -12.69 eV View
- 18 -12.00 eV View
- 19 -9.23 eV View
- 20 -9.09 eV View
- 21 8.48 eV View
- 22 15.25 eV View
- 23 16.27 eV View
- 24 17.57 eV View
- 25 19.00 eV View
- 26 19.07 eV View
- 27 19.85 eV View
- 28 20.00 eV View
- 29 20.56 eV View
- 30 22.33 eV View
- 31 27.40 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 | -5.50 | kJ mol-1 |
| Polar Solvation Energy | -19.34 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.79 | kJ mol-1 |
| Surface Area | 86.76 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.24 | Debye |