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 | 626.96 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 636.88 | 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 | 159.23 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 192.48 | 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 | 179.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 478.84 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -557.65 | kJ mol-1 |
Molecular Orbitals
- 1 -551.94 eV View
- 2 -550.71 eV View
- 3 -303.81 eV View
- 4 -301.20 eV View
- 5 -300.73 eV View
- 6 -300.53 eV View
- 7 -300.43 eV View
- 8 -300.40 eV View
- 9 -300.37 eV View
- 10 -300.21 eV View
- 11 -37.58 eV View
- 12 -34.27 eV View
- 13 -28.91 eV View
- 14 -27.99 eV View
- 15 -26.47 eV View
- 16 -24.50 eV View
- 17 -22.35 eV View
- 18 -20.77 eV View
- 19 -20.57 eV View
- 20 -19.48 eV View
- 21 -17.25 eV View
- 22 -16.72 eV View
- 23 -16.50 eV View
- 24 -15.73 eV View
- 25 -15.37 eV View
- 26 -15.17 eV View
- 27 -14.60 eV View
- 28 -14.17 eV View
- 29 -13.44 eV View
- 30 -13.16 eV View
- 31 -13.13 eV View
- 32 -12.36 eV View
- 33 -12.24 eV View
- 34 -12.03 eV View
- 35 -11.74 eV View
- 36 -11.71 eV View
- 37 -11.49 eV View
- 38 -10.68 eV View
- 39 -9.22 eV View
- 40 -9.06 eV View
- 41 8.54 eV View
- 42 14.75 eV View
- 43 15.27 eV View
- 44 16.31 eV View
- 45 16.39 eV View
- 46 17.22 eV View
- 47 17.66 eV View
- 48 17.71 eV View
- 49 17.97 eV View
- 50 18.20 eV View
- 51 19.14 eV View
- 52 19.15 eV View
- 53 19.50 eV View
- 54 19.96 eV View
- 55 20.08 eV View
- 56 20.49 eV View
- 57 20.49 eV View
- 58 20.58 eV View
- 59 21.22 eV View
- 60 21.37 eV View
- 61 21.66 eV View
- 62 21.95 eV View
- 63 22.05 eV View
- 64 22.26 eV View
- 65 22.57 eV View
- 66 27.63 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 34.51 cm-1 View
- 2 41.85 cm-1 View
- 3 70.41 cm-1 View
- 4 73.52 cm-1 View
- 5 83.20 cm-1 View
- 6 117.73 cm-1 View
- 7 125.27 cm-1 View
- 8 172.43 cm-1 View
- 9 199.02 cm-1 View
- 10 247.28 cm-1 View
- 11 305.47 cm-1 View
- 12 416.08 cm-1 View
- 13 450.49 cm-1 View
- 14 505.15 cm-1 View
- 15 515.76 cm-1 View
- 16 553.23 cm-1 View
- 17 565.51 cm-1 View
- 18 756.70 cm-1 View
- 19 775.60 cm-1 View
- 20 816.23 cm-1 View
- 21 874.93 cm-1 View
- 22 937.02 cm-1 View
- 23 956.39 cm-1 View
- 24 963.51 cm-1 View
- 25 987.68 cm-1 View
- 26 1048.45 cm-1 View
- 27 1089.64 cm-1 View
- 28 1110.65 cm-1 View
- 29 1119.73 cm-1 View
- 30 1124.19 cm-1 View
- 31 1126.35 cm-1 View
- 32 1136.39 cm-1 View
- 33 1140.08 cm-1 View
- 34 1145.97 cm-1 View
- 35 1149.85 cm-1 View
- 36 1160.95 cm-1 View
- 37 1169.46 cm-1 View
- 38 1172.64 cm-1 View
- 39 1197.46 cm-1 View
- 40 1227.49 cm-1 View
- 41 1243.67 cm-1 View
- 42 1284.65 cm-1 View
- 43 1339.10 cm-1 View
- 44 1368.31 cm-1 View
- 45 1380.61 cm-1 View
- 46 1385.16 cm-1 View
- 47 1398.79 cm-1 View
- 48 1408.75 cm-1 View
- 49 1409.05 cm-1 View
- 50 1411.27 cm-1 View
- 51 1413.48 cm-1 View
- 52 1421.35 cm-1 View
- 53 1427.23 cm-1 View
- 54 1437.54 cm-1 View
- 55 1458.35 cm-1 View
- 56 1979.03 cm-1 View
- 57 2936.85 cm-1 View
- 58 2942.56 cm-1 View
- 59 2947.55 cm-1 View
- 60 2954.49 cm-1 View
- 61 2959.23 cm-1 View
- 62 2961.75 cm-1 View
- 63 3025.06 cm-1 View
- 64 3026.70 cm-1 View
- 65 3029.15 cm-1 View
- 66 3031.20 cm-1 View
- 67 3033.90 cm-1 View
- 68 3037.28 cm-1 View
- 69 3078.35 cm-1 View
- 70 3084.22 cm-1 View
- 71 3181.14 cm-1 View
- 72 3853.26 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.18 | kJ mol-1 |
| Polar Solvation Energy | -18.94 | kJ mol-1 |
| Nonpolar Solvation Energy | 24.12 | kJ mol-1 |
| Surface Area | 145.55 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.28 | Debye |