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 | 243.41 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 253.32 | 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 | 57.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 90.43 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.43 | J mol-1 K-1 |
| Rotational | 106.74 | J mol-1 K-1 |
| Vibrational | 54.75 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 323.92 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -444.45 | kJ mol-1 |
Molecular Orbitals
- 1 -552.05 eV View
- 2 -550.72 eV View
- 3 -303.88 eV View
- 4 -301.36 eV View
- 5 -300.75 eV View
- 6 -37.64 eV View
- 7 -34.33 eV View
- 8 -27.81 eV View
- 9 -23.41 eV View
- 10 -19.68 eV View
- 11 -17.12 eV View
- 12 -16.39 eV View
- 13 -15.65 eV View
- 14 -14.51 eV View
- 15 -13.86 eV View
- 16 -13.15 eV View
- 17 -12.53 eV View
- 18 -12.04 eV View
- 19 -9.23 eV View
- 20 -9.11 eV View
- 21 8.49 eV View
- 22 15.21 eV View
- 23 16.41 eV View
- 24 17.64 eV View
- 25 18.23 eV View
- 26 19.24 eV View
- 27 20.09 eV View
- 28 20.36 eV View
- 29 20.61 eV View
- 30 22.20 eV View
- 31 27.48 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 31.87 cm-1 View
- 2 179.18 cm-1 View
- 3 266.99 cm-1 View
- 4 397.02 cm-1 View
- 5 476.64 cm-1 View
- 6 531.65 cm-1 View
- 7 633.16 cm-1 View
- 8 838.94 cm-1 View
- 9 878.46 cm-1 View
- 10 1027.52 cm-1 View
- 11 1065.97 cm-1 View
- 12 1117.71 cm-1 View
- 13 1137.96 cm-1 View
- 14 1233.95 cm-1 View
- 15 1286.33 cm-1 View
- 16 1372.39 cm-1 View
- 17 1401.14 cm-1 View
- 18 1406.61 cm-1 View
- 19 1411.15 cm-1 View
- 20 1455.62 cm-1 View
- 21 1978.48 cm-1 View
- 22 2955.61 cm-1 View
- 23 3031.87 cm-1 View
- 24 3084.96 cm-1 View
- 25 3086.31 cm-1 View
- 26 3183.09 cm-1 View
- 27 3851.93 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -7.00 | kJ mol-1 |
| Polar Solvation Energy | -19.14 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.16 | kJ mol-1 |
| Surface Area | 89.91 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.23 | Debye |