Octanoic 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 | 627.52 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 637.44 | 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 | 159.20 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 192.46 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.74 | J mol-1 K-1 |
| Rotational | 128.40 | J mol-1 K-1 |
| Vibrational | 179.66 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 478.80 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -546.72 | kJ mol-1 |
Molecular Orbitals
- 1 -552.19 eV View
- 2 -550.83 eV View
- 3 -303.73 eV View
- 4 -301.41 eV View
- 5 -300.87 eV View
- 6 -300.65 eV View
- 7 -300.48 eV View
- 8 -300.47 eV View
- 9 -300.43 eV View
- 10 -300.25 eV View
- 11 -37.53 eV View
- 12 -34.42 eV View
- 13 -29.02 eV View
- 14 -28.08 eV View
- 15 -26.55 eV View
- 16 -24.54 eV View
- 17 -22.34 eV View
- 18 -20.85 eV View
- 19 -20.61 eV View
- 20 -19.66 eV View
- 21 -17.72 eV View
- 22 -17.39 eV View
- 23 -16.61 eV View
- 24 -15.50 eV View
- 25 -15.47 eV View
- 26 -15.00 eV View
- 27 -14.23 eV View
- 28 -14.21 eV View
- 29 -13.66 eV View
- 30 -13.28 eV View
- 31 -13.17 eV View
- 32 -12.39 eV View
- 33 -12.35 eV View
- 34 -12.24 eV View
- 35 -11.82 eV View
- 36 -11.82 eV View
- 37 -11.56 eV View
- 38 -10.75 eV View
- 39 -9.15 eV View
- 40 -9.00 eV View
- 41 8.63 eV View
- 42 14.82 eV View
- 43 15.17 eV View
- 44 16.21 eV View
- 45 16.32 eV View
- 46 16.70 eV View
- 47 17.48 eV View
- 48 17.60 eV View
- 49 17.63 eV View
- 50 18.05 eV View
- 51 18.79 eV View
- 52 19.01 eV View
- 53 19.20 eV View
- 54 19.77 eV View
- 55 20.00 eV View
- 56 20.38 eV View
- 57 20.39 eV View
- 58 20.48 eV View
- 59 21.15 eV View
- 60 21.36 eV View
- 61 21.56 eV View
- 62 21.92 eV View
- 63 22.01 eV View
- 64 22.49 eV View
- 65 22.77 eV View
- 66 27.99 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 33.50 cm-1 View
- 2 43.31 cm-1 View
- 3 71.79 cm-1 View
- 4 73.53 cm-1 View
- 5 82.60 cm-1 View
- 6 118.62 cm-1 View
- 7 124.87 cm-1 View
- 8 173.26 cm-1 View
- 9 198.73 cm-1 View
- 10 251.07 cm-1 View
- 11 309.93 cm-1 View
- 12 401.06 cm-1 View
- 13 445.34 cm-1 View
- 14 460.68 cm-1 View
- 15 539.14 cm-1 View
- 16 553.04 cm-1 View
- 17 583.44 cm-1 View
- 18 757.02 cm-1 View
- 19 776.22 cm-1 View
- 20 817.31 cm-1 View
- 21 876.25 cm-1 View
- 22 937.61 cm-1 View
- 23 956.49 cm-1 View
- 24 962.50 cm-1 View
- 25 987.98 cm-1 View
- 26 1046.92 cm-1 View
- 27 1090.31 cm-1 View
- 28 1110.95 cm-1 View
- 29 1119.65 cm-1 View
- 30 1125.64 cm-1 View
- 31 1127.89 cm-1 View
- 32 1136.23 cm-1 View
- 33 1139.79 cm-1 View
- 34 1147.50 cm-1 View
- 35 1150.06 cm-1 View
- 36 1162.38 cm-1 View
- 37 1169.41 cm-1 View
- 38 1173.45 cm-1 View
- 39 1199.66 cm-1 View
- 40 1235.78 cm-1 View
- 41 1282.18 cm-1 View
- 42 1304.15 cm-1 View
- 43 1338.98 cm-1 View
- 44 1368.95 cm-1 View
- 45 1380.40 cm-1 View
- 46 1385.09 cm-1 View
- 47 1398.36 cm-1 View
- 48 1408.25 cm-1 View
- 49 1409.02 cm-1 View
- 50 1411.26 cm-1 View
- 51 1413.28 cm-1 View
- 52 1421.10 cm-1 View
- 53 1426.65 cm-1 View
- 54 1437.17 cm-1 View
- 55 1446.13 cm-1 View
- 56 1991.90 cm-1 View
- 57 2936.42 cm-1 View
- 58 2941.54 cm-1 View
- 59 2946.69 cm-1 View
- 60 2954.39 cm-1 View
- 61 2959.38 cm-1 View
- 62 2961.15 cm-1 View
- 63 3019.53 cm-1 View
- 64 3025.95 cm-1 View
- 65 3028.90 cm-1 View
- 66 3030.82 cm-1 View
- 67 3034.66 cm-1 View
- 68 3036.73 cm-1 View
- 69 3078.23 cm-1 View
- 70 3084.67 cm-1 View
- 71 3181.36 cm-1 View
- 72 3889.75 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -1.66 | kJ mol-1 |
| Polar Solvation Energy | -30.89 | kJ mol-1 |
| Nonpolar Solvation Energy | 29.22 | kJ mol-1 |
| Surface Area | 129.08 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.18 | Debye |