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 | 626.99 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 636.90 | 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 | 159.19 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 192.45 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.74 | J mol-1 K-1 |
| Rotational | 128.41 | J mol-1 K-1 |
| Vibrational | 179.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 478.63 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -557.61 | kJ mol-1 |
Molecular Orbitals
- 1 -551.95 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 -300.41 eV View
- 9 -300.37 eV View
- 10 -300.20 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 -17.26 eV View
- 22 -16.73 eV View
- 23 -16.48 eV View
- 24 -15.73 eV View
- 25 -15.38 eV View
- 26 -15.16 eV View
- 27 -14.61 eV View
- 28 -14.17 eV View
- 29 -13.44 eV View
- 30 -13.18 eV View
- 31 -13.11 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 -9.21 eV View
- 40 -9.06 eV View
- 41 8.54 eV View
- 42 14.76 eV View
- 43 15.27 eV View
- 44 16.29 eV View
- 45 16.40 eV View
- 46 17.21 eV View
- 47 17.65 eV View
- 48 17.72 eV View
- 49 17.97 eV View
- 50 18.20 eV View
- 51 19.12 eV View
- 52 19.16 eV View
- 53 19.49 eV View
- 54 19.96 eV View
- 55 20.08 eV View
- 56 20.48 eV View
- 57 20.49 eV View
- 58 20.59 eV View
- 59 21.22 eV View
- 60 21.37 eV View
- 61 21.65 eV View
- 62 21.96 eV View
- 63 22.05 eV View
- 64 22.27 eV View
- 65 22.57 eV View
- 66 27.62 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 34.23 cm-1 View
- 2 43.16 cm-1 View
- 3 69.53 cm-1 View
- 4 73.84 cm-1 View
- 5 83.81 cm-1 View
- 6 118.28 cm-1 View
- 7 125.90 cm-1 View
- 8 172.92 cm-1 View
- 9 196.58 cm-1 View
- 10 247.44 cm-1 View
- 11 306.07 cm-1 View
- 12 415.85 cm-1 View
- 13 450.29 cm-1 View
- 14 504.29 cm-1 View
- 15 515.83 cm-1 View
- 16 547.68 cm-1 View
- 17 574.10 cm-1 View
- 18 757.10 cm-1 View
- 19 775.83 cm-1 View
- 20 816.44 cm-1 View
- 21 875.04 cm-1 View
- 22 937.11 cm-1 View
- 23 956.27 cm-1 View
- 24 963.45 cm-1 View
- 25 987.88 cm-1 View
- 26 1048.80 cm-1 View
- 27 1089.60 cm-1 View
- 28 1110.59 cm-1 View
- 29 1119.56 cm-1 View
- 30 1123.21 cm-1 View
- 31 1127.36 cm-1 View
- 32 1136.25 cm-1 View
- 33 1140.49 cm-1 View
- 34 1146.27 cm-1 View
- 35 1149.80 cm-1 View
- 36 1160.93 cm-1 View
- 37 1169.67 cm-1 View
- 38 1172.96 cm-1 View
- 39 1198.08 cm-1 View
- 40 1227.99 cm-1 View
- 41 1244.00 cm-1 View
- 42 1284.85 cm-1 View
- 43 1339.27 cm-1 View
- 44 1368.50 cm-1 View
- 45 1380.60 cm-1 View
- 46 1385.20 cm-1 View
- 47 1398.87 cm-1 View
- 48 1408.70 cm-1 View
- 49 1408.96 cm-1 View
- 50 1411.29 cm-1 View
- 51 1413.52 cm-1 View
- 52 1421.34 cm-1 View
- 53 1427.22 cm-1 View
- 54 1437.53 cm-1 View
- 55 1458.47 cm-1 View
- 56 1978.65 cm-1 View
- 57 2936.27 cm-1 View
- 58 2942.44 cm-1 View
- 59 2947.46 cm-1 View
- 60 2954.12 cm-1 View
- 61 2959.08 cm-1 View
- 62 2961.16 cm-1 View
- 63 3024.81 cm-1 View
- 64 3026.30 cm-1 View
- 65 3028.78 cm-1 View
- 66 3030.60 cm-1 View
- 67 3034.09 cm-1 View
- 68 3036.41 cm-1 View
- 69 3079.24 cm-1 View
- 70 3085.53 cm-1 View
- 71 3182.40 cm-1 View
- 72 3852.95 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 11.34 | kJ mol-1 |
| Polar Solvation Energy | -19.14 | kJ mol-1 |
| Nonpolar Solvation Energy | 30.47 | kJ mol-1 |
| Surface Area | 147.72 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.28 | Debye |