Octane
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 | 657.53 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 667.44 | 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 | 137.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 170.67 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.83 | J mol-1 K-1 |
| Rotational | 123.42 | J mol-1 K-1 |
| Vibrational | 134.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 426.19 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -211.29 | kJ mol-1 |
Molecular Orbitals
- 1 -300.36 eV View
- 2 -300.32 eV View
- 3 -300.28 eV View
- 4 -300.25 eV View
- 5 -300.24 eV View
- 6 -300.22 eV View
- 7 -300.17 eV View
- 8 -300.16 eV View
- 9 -28.76 eV View
- 10 -27.87 eV View
- 11 -26.46 eV View
- 12 -24.78 eV View
- 13 -22.70 eV View
- 14 -21.37 eV View
- 15 -20.50 eV View
- 16 -19.96 eV View
- 17 -16.76 eV View
- 18 -16.33 eV View
- 19 -15.51 eV View
- 20 -15.34 eV View
- 21 -14.74 eV View
- 22 -14.47 eV View
- 23 -13.99 eV View
- 24 -13.37 eV View
- 25 -13.15 eV View
- 26 -12.64 eV View
- 27 -12.31 eV View
- 28 -11.91 eV View
- 29 -11.80 eV View
- 30 -11.41 eV View
- 31 -11.41 eV View
- 32 -10.82 eV View
- 33 -10.47 eV View
- 34 15.22 eV View
- 35 15.55 eV View
- 36 16.51 eV View
- 37 16.63 eV View
- 38 17.60 eV View
- 39 17.81 eV View
- 40 18.15 eV View
- 41 18.41 eV View
- 42 18.67 eV View
- 43 18.99 eV View
- 44 19.28 eV View
- 45 19.77 eV View
- 46 20.18 eV View
- 47 20.34 eV View
- 48 20.65 eV View
- 49 20.67 eV View
- 50 21.13 eV View
- 51 21.24 eV View
- 52 21.45 eV View
- 53 21.69 eV View
- 54 21.84 eV View
- 55 22.20 eV View
- 56 22.48 eV View
- 57 22.58 eV View
- 58 23.50 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 56.17 cm-1 View
- 2 72.39 cm-1 View
- 3 87.28 cm-1 View
- 4 118.32 cm-1 View
- 5 158.47 cm-1 View
- 6 177.72 cm-1 View
- 7 198.91 cm-1 View
- 8 211.76 cm-1 View
- 9 281.80 cm-1 View
- 10 318.82 cm-1 View
- 11 389.69 cm-1 View
- 12 459.43 cm-1 View
- 13 553.47 cm-1 View
- 14 762.19 cm-1 View
- 15 785.45 cm-1 View
- 16 809.30 cm-1 View
- 17 873.32 cm-1 View
- 18 905.49 cm-1 View
- 19 934.51 cm-1 View
- 20 958.72 cm-1 View
- 21 973.14 cm-1 View
- 22 1003.61 cm-1 View
- 23 1041.62 cm-1 View
- 24 1101.36 cm-1 View
- 25 1108.96 cm-1 View
- 26 1123.72 cm-1 View
- 27 1126.29 cm-1 View
- 28 1132.46 cm-1 View
- 29 1139.00 cm-1 View
- 30 1146.29 cm-1 View
- 31 1147.53 cm-1 View
- 32 1156.17 cm-1 View
- 33 1159.64 cm-1 View
- 34 1168.05 cm-1 View
- 35 1175.22 cm-1 View
- 36 1205.26 cm-1 View
- 37 1241.28 cm-1 View
- 38 1267.27 cm-1 View
- 39 1302.17 cm-1 View
- 40 1355.42 cm-1 View
- 41 1373.87 cm-1 View
- 42 1385.75 cm-1 View
- 43 1387.99 cm-1 View
- 44 1407.72 cm-1 View
- 45 1408.78 cm-1 View
- 46 1408.97 cm-1 View
- 47 1410.50 cm-1 View
- 48 1411.83 cm-1 View
- 49 1412.47 cm-1 View
- 50 1417.53 cm-1 View
- 51 1419.55 cm-1 View
- 52 1426.55 cm-1 View
- 53 1435.46 cm-1 View
- 54 1441.86 cm-1 View
- 55 2905.88 cm-1 View
- 56 2924.48 cm-1 View
- 57 2944.83 cm-1 View
- 58 2951.70 cm-1 View
- 59 2957.61 cm-1 View
- 60 2958.11 cm-1 View
- 61 3010.71 cm-1 View
- 62 3017.99 cm-1 View
- 63 3029.46 cm-1 View
- 64 3031.84 cm-1 View
- 65 3033.66 cm-1 View
- 66 3037.21 cm-1 View
- 67 3077.86 cm-1 View
- 68 3078.11 cm-1 View
- 69 3083.85 cm-1 View
- 70 3084.27 cm-1 View
- 71 3180.80 cm-1 View
- 72 3180.93 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 29.29 | kJ mol-1 |
| Polar Solvation Energy | -1.20 | kJ mol-1 |
| Nonpolar Solvation Energy | 30.51 | kJ mol-1 |
| Surface Area | 135.85 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.06 | Debye |