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 | 671.15 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 681.07 | 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 | 154.95 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 188.21 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.46 | J mol-1 K-1 |
| Rotational | 125.46 | J mol-1 K-1 |
| Vibrational | 170.80 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 465.73 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -373.04 | kJ mol-1 |
Molecular Orbitals
- 1 -550.89 eV View
- 2 -301.67 eV View
- 3 -300.40 eV View
- 4 -300.37 eV View
- 5 -300.37 eV View
- 6 -300.30 eV View
- 7 -300.28 eV View
- 8 -300.28 eV View
- 9 -300.16 eV View
- 10 -35.10 eV View
- 11 -28.72 eV View
- 12 -27.82 eV View
- 13 -26.36 eV View
- 14 -24.50 eV View
- 15 -22.50 eV View
- 16 -20.92 eV View
- 17 -20.51 eV View
- 18 -20.36 eV View
- 19 -17.14 eV View
- 20 -16.67 eV View
- 21 -16.55 eV View
- 22 -15.56 eV View
- 23 -15.22 eV View
- 24 -14.52 eV View
- 25 -14.31 eV View
- 26 -14.18 eV View
- 27 -13.04 eV View
- 28 -12.98 eV View
- 29 -12.46 eV View
- 30 -12.07 eV View
- 31 -12.01 eV View
- 32 -11.63 eV View
- 33 -11.51 eV View
- 34 -11.39 eV View
- 35 -11.03 eV View
- 36 -10.26 eV View
- 37 -9.44 eV View
- 38 15.15 eV View
- 39 15.33 eV View
- 40 16.17 eV View
- 41 16.30 eV View
- 42 17.36 eV View
- 43 17.54 eV View
- 44 17.82 eV View
- 45 18.00 eV View
- 46 18.64 eV View
- 47 18.66 eV View
- 48 19.02 eV View
- 49 19.75 eV View
- 50 19.87 eV View
- 51 19.88 eV View
- 52 20.05 eV View
- 53 20.43 eV View
- 54 20.64 eV View
- 55 21.01 eV View
- 56 21.03 eV View
- 57 21.16 eV View
- 58 21.75 eV View
- 59 21.85 eV View
- 60 22.02 eV View
- 61 22.29 eV View
- 62 22.30 eV View
- 63 22.76 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 43.15 cm-1 View
- 2 58.31 cm-1 View
- 3 78.71 cm-1 View
- 4 84.77 cm-1 View
- 5 95.19 cm-1 View
- 6 124.60 cm-1 View
- 7 128.23 cm-1 View
- 8 196.48 cm-1 View
- 9 199.80 cm-1 View
- 10 200.10 cm-1 View
- 11 259.53 cm-1 View
- 12 339.60 cm-1 View
- 13 445.72 cm-1 View
- 14 495.61 cm-1 View
- 15 544.30 cm-1 View
- 16 755.56 cm-1 View
- 17 768.48 cm-1 View
- 18 797.96 cm-1 View
- 19 845.62 cm-1 View
- 20 902.56 cm-1 View
- 21 955.83 cm-1 View
- 22 958.31 cm-1 View
- 23 995.07 cm-1 View
- 24 1041.32 cm-1 View
- 25 1067.70 cm-1 View
- 26 1087.26 cm-1 View
- 27 1108.22 cm-1 View
- 28 1115.58 cm-1 View
- 29 1117.73 cm-1 View
- 30 1125.83 cm-1 View
- 31 1129.31 cm-1 View
- 32 1138.15 cm-1 View
- 33 1141.58 cm-1 View
- 34 1149.26 cm-1 View
- 35 1151.98 cm-1 View
- 36 1152.31 cm-1 View
- 37 1162.75 cm-1 View
- 38 1173.96 cm-1 View
- 39 1174.71 cm-1 View
- 40 1198.08 cm-1 View
- 41 1234.28 cm-1 View
- 42 1273.79 cm-1 View
- 43 1307.65 cm-1 View
- 44 1345.98 cm-1 View
- 45 1377.83 cm-1 View
- 46 1380.66 cm-1 View
- 47 1385.55 cm-1 View
- 48 1388.45 cm-1 View
- 49 1408.58 cm-1 View
- 50 1409.04 cm-1 View
- 51 1409.69 cm-1 View
- 52 1412.13 cm-1 View
- 53 1418.35 cm-1 View
- 54 1421.44 cm-1 View
- 55 1426.33 cm-1 View
- 56 1434.14 cm-1 View
- 57 1439.57 cm-1 View
- 58 2908.87 cm-1 View
- 59 2936.20 cm-1 View
- 60 2942.33 cm-1 View
- 61 2949.70 cm-1 View
- 62 2956.05 cm-1 View
- 63 2959.43 cm-1 View
- 64 2961.68 cm-1 View
- 65 2970.06 cm-1 View
- 66 3025.84 cm-1 View
- 67 3028.22 cm-1 View
- 68 3030.41 cm-1 View
- 69 3030.89 cm-1 View
- 70 3034.09 cm-1 View
- 71 3039.13 cm-1 View
- 72 3078.32 cm-1 View
- 73 3084.28 cm-1 View
- 74 3181.30 cm-1 View
- 75 3908.99 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 20.44 | kJ mol-1 |
| Polar Solvation Energy | -11.17 | kJ mol-1 |
| Nonpolar Solvation Energy | 31.60 | kJ mol-1 |
| Surface Area | 131.91 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.68 | Debye |