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 | 397.19 | 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 | 98.21 | 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 | 99.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 383.63 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -478.73 | 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 16.35 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
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 43.85 cm-1 View
- 2 76.94 cm-1 View
- 3 100.80 cm-1 View
- 4 143.19 cm-1 View
- 5 197.51 cm-1 View
- 6 325.51 cm-1 View
- 7 352.95 cm-1 View
- 8 401.56 cm-1 View
- 9 513.44 cm-1 View
- 10 553.21 cm-1 View
- 11 573.86 cm-1 View
- 12 771.13 cm-1 View
- 13 845.11 cm-1 View
- 14 943.31 cm-1 View
- 15 955.56 cm-1 View
- 16 964.74 cm-1 View
- 17 1045.64 cm-1 View
- 18 1112.37 cm-1 View
- 19 1123.89 cm-1 View
- 20 1134.77 cm-1 View
- 21 1142.54 cm-1 View
- 22 1158.43 cm-1 View
- 23 1158.75 cm-1 View
- 24 1215.47 cm-1 View
- 25 1295.06 cm-1 View
- 26 1306.34 cm-1 View
- 27 1366.32 cm-1 View
- 28 1378.57 cm-1 View
- 29 1398.52 cm-1 View
- 30 1407.48 cm-1 View
- 31 1410.32 cm-1 View
- 32 1415.19 cm-1 View
- 33 1430.39 cm-1 View
- 34 1445.76 cm-1 View
- 35 1992.32 cm-1 View
- 36 2940.81 cm-1 View
- 37 2950.14 cm-1 View
- 38 2962.01 cm-1 View
- 39 3019.57 cm-1 View
- 40 3031.84 cm-1 View
- 41 3037.70 cm-1 View
- 42 3079.53 cm-1 View
- 43 3085.39 cm-1 View
- 44 3181.78 cm-1 View
- 45 3889.89 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -13.23 | kJ mol-1 |
| Polar Solvation Energy | -31.15 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.89 | kJ mol-1 |
| Surface Area | 111.85 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.19 | Debye |