Octan-1-ol
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 | 672.07 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 681.98 | 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 | 153.80 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 187.06 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.46 | J mol-1 K-1 |
| Rotational | 125.49 | J mol-1 K-1 |
| Vibrational | 166.09 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 461.04 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -380.91 | kJ mol-1 |
Molecular Orbitals
- 1 -550.87 eV View
- 2 -301.69 eV View
- 3 -300.53 eV View
- 4 -300.49 eV View
- 5 -300.41 eV View
- 6 -300.39 eV View
- 7 -300.34 eV View
- 8 -300.33 eV View
- 9 -300.19 eV View
- 10 -35.14 eV View
- 11 -28.80 eV View
- 12 -27.90 eV View
- 13 -26.42 eV View
- 14 -24.54 eV View
- 15 -22.57 eV View
- 16 -21.16 eV View
- 17 -20.60 eV View
- 18 -20.45 eV View
- 19 -17.39 eV View
- 20 -16.83 eV View
- 21 -16.03 eV View
- 22 -15.39 eV View
- 23 -15.22 eV View
- 24 -14.94 eV View
- 25 -14.33 eV View
- 26 -13.97 eV View
- 27 -13.36 eV View
- 28 -13.05 eV View
- 29 -12.83 eV View
- 30 -12.15 eV View
- 31 -12.09 eV View
- 32 -11.69 eV View
- 33 -11.61 eV View
- 34 -11.45 eV View
- 35 -11.18 eV View
- 36 -10.33 eV View
- 37 -9.22 eV View
- 38 15.18 eV View
- 39 15.22 eV View
- 40 16.01 eV View
- 41 16.27 eV View
- 42 17.13 eV View
- 43 17.45 eV View
- 44 17.77 eV View
- 45 17.98 eV View
- 46 18.42 eV View
- 47 18.82 eV View
- 48 19.25 eV View
- 49 19.38 eV View
- 50 19.73 eV View
- 51 19.83 eV View
- 52 20.21 eV View
- 53 20.31 eV View
- 54 20.65 eV View
- 55 20.74 eV View
- 56 20.96 eV View
- 57 21.43 eV View
- 58 21.56 eV View
- 59 21.80 eV View
- 60 22.14 eV View
- 61 22.18 eV View
- 62 22.23 eV View
- 63 22.70 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 43.61 cm-1 View
- 2 63.17 cm-1 View
- 3 78.53 cm-1 View
- 4 83.79 cm-1 View
- 5 98.09 cm-1 View
- 6 124.83 cm-1 View
- 7 129.14 cm-1 View
- 8 196.09 cm-1 View
- 9 197.77 cm-1 View
- 10 260.30 cm-1 View
- 11 330.29 cm-1 View
- 12 340.49 cm-1 View
- 13 454.16 cm-1 View
- 14 494.35 cm-1 View
- 15 552.54 cm-1 View
- 16 755.68 cm-1 View
- 17 768.61 cm-1 View
- 18 797.29 cm-1 View
- 19 843.80 cm-1 View
- 20 900.60 cm-1 View
- 21 954.21 cm-1 View
- 22 957.80 cm-1 View
- 23 993.54 cm-1 View
- 24 1026.04 cm-1 View
- 25 1079.19 cm-1 View
- 26 1091.56 cm-1 View
- 27 1111.90 cm-1 View
- 28 1115.97 cm-1 View
- 29 1117.32 cm-1 View
- 30 1125.51 cm-1 View
- 31 1126.87 cm-1 View
- 32 1137.79 cm-1 View
- 33 1145.65 cm-1 View
- 34 1148.32 cm-1 View
- 35 1149.57 cm-1 View
- 36 1151.90 cm-1 View
- 37 1164.80 cm-1 View
- 38 1173.09 cm-1 View
- 39 1173.56 cm-1 View
- 40 1200.95 cm-1 View
- 41 1237.80 cm-1 View
- 42 1283.07 cm-1 View
- 43 1332.18 cm-1 View
- 44 1361.18 cm-1 View
- 45 1377.31 cm-1 View
- 46 1382.22 cm-1 View
- 47 1385.32 cm-1 View
- 48 1389.38 cm-1 View
- 49 1405.34 cm-1 View
- 50 1409.05 cm-1 View
- 51 1409.47 cm-1 View
- 52 1411.92 cm-1 View
- 53 1413.83 cm-1 View
- 54 1420.70 cm-1 View
- 55 1423.51 cm-1 View
- 56 1432.18 cm-1 View
- 57 1438.93 cm-1 View
- 58 2932.29 cm-1 View
- 59 2936.64 cm-1 View
- 60 2942.60 cm-1 View
- 61 2949.57 cm-1 View
- 62 2955.45 cm-1 View
- 63 2958.91 cm-1 View
- 64 2959.94 cm-1 View
- 65 3025.46 cm-1 View
- 66 3026.38 cm-1 View
- 67 3028.56 cm-1 View
- 68 3030.52 cm-1 View
- 69 3030.94 cm-1 View
- 70 3034.38 cm-1 View
- 71 3034.66 cm-1 View
- 72 3078.76 cm-1 View
- 73 3084.69 cm-1 View
- 74 3181.74 cm-1 View
- 75 3887.20 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 17.64 | kJ mol-1 |
| Polar Solvation Energy | -10.80 | kJ mol-1 |
| Nonpolar Solvation Energy | 28.47 | kJ mol-1 |
| Surface Area | 144.03 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.79 | Debye |