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 | 473.79 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 483.70 | 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 | 117.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 150.86 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.04 | J mol-1 K-1 |
| Rotational | 121.98 | J mol-1 K-1 |
| Vibrational | 125.49 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 415.51 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -509.71 | kJ mol-1 |
Molecular Orbitals
- 1 -552.04 eV View
- 2 -550.70 eV View
- 3 -303.82 eV View
- 4 -301.19 eV View
- 5 -300.82 eV View
- 6 -300.53 eV View
- 7 -300.53 eV View
- 8 -300.25 eV View
- 9 -37.62 eV View
- 10 -34.31 eV View
- 11 -28.81 eV View
- 12 -27.21 eV View
- 13 -24.72 eV View
- 14 -22.06 eV View
- 15 -20.73 eV View
- 16 -19.84 eV View
- 17 -17.08 eV View
- 18 -16.49 eV View
- 19 -15.87 eV View
- 20 -15.54 eV View
- 21 -15.21 eV View
- 22 -14.60 eV View
- 23 -14.03 eV View
- 24 -13.57 eV View
- 25 -13.10 eV View
- 26 -12.52 eV View
- 27 -12.09 eV View
- 28 -11.78 eV View
- 29 -11.62 eV View
- 30 -11.19 eV View
- 31 -9.21 eV View
- 32 -9.05 eV View
- 33 8.49 eV View
- 34 15.10 eV View
- 35 15.41 eV View
- 36 16.16 eV View
- 37 16.96 eV View
- 38 17.76 eV View
- 39 18.18 eV View
- 40 18.32 eV View
- 41 18.82 eV View
- 42 19.54 eV View
- 43 19.90 eV View
- 44 20.02 eV View
- 45 20.60 eV View
- 46 20.68 eV View
- 47 21.07 eV View
- 48 21.20 eV View
- 49 21.75 eV View
- 50 22.13 eV View
- 51 22.50 eV View
- 52 27.43 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 29.96 cm-1 View
- 2 57.00 cm-1 View
- 3 70.83 cm-1 View
- 4 108.92 cm-1 View
- 5 192.56 cm-1 View
- 6 200.15 cm-1 View
- 7 244.75 cm-1 View
- 8 398.05 cm-1 View
- 9 421.89 cm-1 View
- 10 436.27 cm-1 View
- 11 461.93 cm-1 View
- 12 533.34 cm-1 View
- 13 686.59 cm-1 View
- 14 766.65 cm-1 View
- 15 825.49 cm-1 View
- 16 894.48 cm-1 View
- 17 907.62 cm-1 View
- 18 962.62 cm-1 View
- 19 967.22 cm-1 View
- 20 1030.75 cm-1 View
- 21 1065.88 cm-1 View
- 22 1105.61 cm-1 View
- 23 1122.80 cm-1 View
- 24 1129.78 cm-1 View
- 25 1141.17 cm-1 View
- 26 1150.38 cm-1 View
- 27 1159.39 cm-1 View
- 28 1171.54 cm-1 View
- 29 1229.90 cm-1 View
- 30 1239.02 cm-1 View
- 31 1289.49 cm-1 View
- 32 1335.39 cm-1 View
- 33 1381.85 cm-1 View
- 34 1387.29 cm-1 View
- 35 1398.01 cm-1 View
- 36 1408.26 cm-1 View
- 37 1410.98 cm-1 View
- 38 1411.28 cm-1 View
- 39 1419.79 cm-1 View
- 40 1433.97 cm-1 View
- 41 1447.13 cm-1 View
- 42 1978.53 cm-1 View
- 43 2941.58 cm-1 View
- 44 2953.34 cm-1 View
- 45 2959.61 cm-1 View
- 46 2960.57 cm-1 View
- 47 3029.23 cm-1 View
- 48 3029.76 cm-1 View
- 49 3034.25 cm-1 View
- 50 3034.37 cm-1 View
- 51 3079.39 cm-1 View
- 52 3085.18 cm-1 View
- 53 3181.93 cm-1 View
- 54 3851.72 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 1.74 | kJ mol-1 |
| Polar Solvation Energy | -18.92 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.69 | kJ mol-1 |
| Surface Area | 119.51 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.29 | Debye |