Hexanoic 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 | 473.98 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 483.89 | 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 | 118.53 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 151.79 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.04 | J mol-1 K-1 |
| Rotational | 121.59 | J mol-1 K-1 |
| Vibrational | 126.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 415.75 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -501.45 | kJ mol-1 |
Molecular Orbitals
- 1 -552.19 eV View
- 2 -550.83 eV View
- 3 -303.74 eV View
- 4 -301.42 eV View
- 5 -300.89 eV View
- 6 -300.68 eV View
- 7 -300.61 eV View
- 8 -300.34 eV View
- 9 -37.53 eV View
- 10 -34.43 eV View
- 11 -28.92 eV View
- 12 -27.32 eV View
- 13 -24.86 eV View
- 14 -22.06 eV View
- 15 -20.80 eV View
- 16 -19.67 eV View
- 17 -17.74 eV View
- 18 -17.33 eV View
- 19 -16.10 eV View
- 20 -15.24 eV View
- 21 -15.08 eV View
- 22 -14.52 eV View
- 23 -13.97 eV View
- 24 -13.33 eV View
- 25 -12.96 eV View
- 26 -12.64 eV View
- 27 -12.28 eV View
- 28 -12.06 eV View
- 29 -11.74 eV View
- 30 -11.29 eV View
- 31 -9.15 eV View
- 32 -9.01 eV View
- 33 8.62 eV View
- 34 14.93 eV View
- 35 15.35 eV View
- 36 16.34 eV View
- 37 17.00 eV View
- 38 17.23 eV View
- 39 17.56 eV View
- 40 18.00 eV View
- 41 18.72 eV View
- 42 18.90 eV View
- 43 19.59 eV View
- 44 19.85 eV View
- 45 20.56 eV View
- 46 20.74 eV View
- 47 20.82 eV View
- 48 21.43 eV View
- 49 21.60 eV View
- 50 22.15 eV View
- 51 22.74 eV View
- 52 27.98 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 42.92 cm-1 View
- 2 51.92 cm-1 View
- 3 96.25 cm-1 View
- 4 112.18 cm-1 View
- 5 113.24 cm-1 View
- 6 198.15 cm-1 View
- 7 246.96 cm-1 View
- 8 325.91 cm-1 View
- 9 404.22 cm-1 View
- 10 436.07 cm-1 View
- 11 515.77 cm-1 View
- 12 553.01 cm-1 View
- 13 582.52 cm-1 View
- 14 763.02 cm-1 View
- 15 807.98 cm-1 View
- 16 886.27 cm-1 View
- 17 946.05 cm-1 View
- 18 965.82 cm-1 View
- 19 973.11 cm-1 View
- 20 1046.45 cm-1 View
- 21 1098.79 cm-1 View
- 22 1122.16 cm-1 View
- 23 1131.07 cm-1 View
- 24 1132.92 cm-1 View
- 25 1146.97 cm-1 View
- 26 1149.45 cm-1 View
- 27 1156.95 cm-1 View
- 28 1164.70 cm-1 View
- 29 1210.24 cm-1 View
- 30 1264.38 cm-1 View
- 31 1303.60 cm-1 View
- 32 1341.18 cm-1 View
- 33 1370.48 cm-1 View
- 34 1383.65 cm-1 View
- 35 1398.83 cm-1 View
- 36 1409.04 cm-1 View
- 37 1411.10 cm-1 View
- 38 1412.46 cm-1 View
- 39 1419.15 cm-1 View
- 40 1434.14 cm-1 View
- 41 1445.93 cm-1 View
- 42 1992.14 cm-1 View
- 43 2938.85 cm-1 View
- 44 2945.33 cm-1 View
- 45 2956.68 cm-1 View
- 46 2961.45 cm-1 View
- 47 3019.63 cm-1 View
- 48 3027.70 cm-1 View
- 49 3034.57 cm-1 View
- 50 3036.78 cm-1 View
- 51 3078.71 cm-1 View
- 52 3085.00 cm-1 View
- 53 3181.80 cm-1 View
- 54 3889.54 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -6.17 | kJ mol-1 |
| Polar Solvation Energy | -31.48 | kJ mol-1 |
| Nonpolar Solvation Energy | 25.29 | kJ mol-1 |
| Surface Area | 115.25 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.20 | Debye |