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 | 241.07 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 250.98 | 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 | 49.04 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 82.29 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.43 | J mol-1 K-1 |
| Rotational | 106.66 | J mol-1 K-1 |
| Vibrational | 29.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 298.56 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -433.37 | kJ mol-1 |
Molecular Orbitals
- 1 -552.32 eV View
- 2 -550.67 eV View
- 3 -303.74 eV View
- 4 -301.58 eV View
- 5 -301.23 eV View
- 6 -37.57 eV View
- 7 -34.39 eV View
- 8 -28.12 eV View
- 9 -23.56 eV View
- 10 -19.86 eV View
- 11 -17.97 eV View
- 12 -16.88 eV View
- 13 -15.35 eV View
- 14 -14.40 eV View
- 15 -14.10 eV View
- 16 -13.26 eV View
- 17 -12.87 eV View
- 18 -12.24 eV View
- 19 -9.04 eV View
- 20 -8.98 eV View
- 21 8.62 eV View
- 22 15.66 eV View
- 23 15.86 eV View
- 24 16.39 eV View
- 25 17.22 eV View
- 26 18.62 eV View
- 27 19.57 eV View
- 28 20.41 eV View
- 29 20.49 eV View
- 30 23.28 eV View
- 31 27.54 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 28.02 cm-1 View
- 2 202.60 cm-1 View
- 3 305.96 cm-1 View
- 4 389.98 cm-1 View
- 5 487.63 cm-1 View
- 6 537.63 cm-1 View
- 7 555.36 cm-1 View
- 8 833.70 cm-1 View
- 9 865.55 cm-1 View
- 10 1031.62 cm-1 View
- 11 1035.71 cm-1 View
- 12 1126.93 cm-1 View
- 13 1133.04 cm-1 View
- 14 1302.62 cm-1 View
- 15 1310.08 cm-1 View
- 16 1362.57 cm-1 View
- 17 1403.71 cm-1 View
- 18 1416.59 cm-1 View
- 19 1423.96 cm-1 View
- 20 1440.75 cm-1 View
- 21 1978.14 cm-1 View
- 22 2950.15 cm-1 View
- 23 3031.84 cm-1 View
- 24 3076.38 cm-1 View
- 25 3077.23 cm-1 View
- 26 3179.54 cm-1 View
- 27 3876.71 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -22.68 | kJ mol-1 |
| Polar Solvation Energy | -31.28 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.61 | kJ mol-1 |
| Surface Area | 92.60 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.33 | Debye |