Pentanoic 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 | 397.20 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 407.11 | 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 | 98.22 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 131.47 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.43 | J mol-1 K-1 |
| Rotational | 117.50 | J mol-1 K-1 |
| Vibrational | 100.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 384.10 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -478.78 | kJ mol-1 |
Molecular Orbitals
- 1 -552.20 eV View
- 2 -550.84 eV View
- 3 -303.75 eV View
- 4 -301.44 eV View
- 5 -300.91 eV View
- 6 -300.79 eV View
- 7 -300.41 eV View
- 8 -37.54 eV View
- 9 -34.44 eV View
- 10 -28.79 eV View
- 11 -26.60 eV View
- 12 -23.41 eV View
- 13 -21.03 eV View
- 14 -19.70 eV View
- 15 -17.73 eV View
- 16 -17.26 eV View
- 17 -15.66 eV View
- 18 -15.64 eV View
- 19 -14.49 eV View
- 20 -13.95 eV View
- 21 -13.62 eV View
- 22 -12.85 eV View
- 23 -12.76 eV View
- 24 -12.29 eV View
- 25 -11.90 eV View
- 26 -11.59 eV View
- 27 -9.16 eV View
- 28 -9.03 eV View
- 29 8.61 eV View
- 30 15.03 eV View
- 31 15.55 eV View
- 32 16.34 eV View
- 33 17.33 eV View
- 34 17.67 eV View
- 35 17.82 eV View
- 36 18.41 eV View
- 37 19.24 eV View
- 38 19.98 eV View
- 39 20.00 eV View
- 40 20.70 eV View
- 41 20.82 eV View
- 42 21.41 eV View
- 43 21.87 eV View
- 44 22.70 eV View
- 45 27.97 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.76 | kJ mol-1 |
| Polar Solvation Energy | -31.91 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.15 | kJ mol-1 |
| Surface Area | 116.40 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.21 | Debye |