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 | 657.15 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 667.07 | 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 | 138.85 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 172.10 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.83 | J mol-1 K-1 |
| Rotational | 122.15 | J mol-1 K-1 |
| Vibrational | 145.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 435.79 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -212.11 | kJ mol-1 |
Molecular Orbitals
- 1 -300.35 eV View
- 2 -300.35 eV View
- 3 -300.26 eV View
- 4 -300.26 eV View
- 5 -300.25 eV View
- 6 -300.24 eV View
- 7 -300.15 eV View
- 8 -300.15 eV View
- 9 -28.71 eV View
- 10 -27.88 eV View
- 11 -26.54 eV View
- 12 -24.76 eV View
- 13 -22.75 eV View
- 14 -20.98 eV View
- 15 -20.46 eV View
- 16 -20.29 eV View
- 17 -17.01 eV View
- 18 -16.29 eV View
- 19 -15.40 eV View
- 20 -15.18 eV View
- 21 -14.80 eV View
- 22 -14.46 eV View
- 23 -13.88 eV View
- 24 -13.66 eV View
- 25 -12.67 eV View
- 26 -12.57 eV View
- 27 -12.33 eV View
- 28 -11.84 eV View
- 29 -11.82 eV View
- 30 -11.56 eV View
- 31 -11.43 eV View
- 32 -11.35 eV View
- 33 -10.24 eV View
- 34 15.39 eV View
- 35 15.58 eV View
- 36 16.26 eV View
- 37 17.32 eV View
- 38 17.46 eV View
- 39 17.87 eV View
- 40 18.04 eV View
- 41 18.31 eV View
- 42 18.74 eV View
- 43 19.30 eV View
- 44 19.57 eV View
- 45 19.98 eV View
- 46 20.11 eV View
- 47 20.24 eV View
- 48 20.45 eV View
- 49 20.85 eV View
- 50 20.99 eV View
- 51 21.12 eV View
- 52 21.30 eV View
- 53 21.75 eV View
- 54 21.92 eV View
- 55 22.10 eV View
- 56 22.31 eV View
- 57 22.36 eV View
- 58 22.81 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 44.44 cm-1 View
- 2 70.73 cm-1 View
- 3 92.92 cm-1 View
- 4 97.32 cm-1 View
- 5 116.36 cm-1 View
- 6 129.56 cm-1 View
- 7 197.00 cm-1 View
- 8 198.31 cm-1 View
- 9 229.82 cm-1 View
- 10 296.96 cm-1 View
- 11 380.54 cm-1 View
- 12 507.22 cm-1 View
- 13 512.44 cm-1 View
- 14 756.42 cm-1 View
- 15 771.83 cm-1 View
- 16 804.78 cm-1 View
- 17 855.04 cm-1 View
- 18 913.17 cm-1 View
- 19 951.64 cm-1 View
- 20 963.91 cm-1 View
- 21 964.02 cm-1 View
- 22 997.45 cm-1 View
- 23 1088.95 cm-1 View
- 24 1112.67 cm-1 View
- 25 1117.18 cm-1 View
- 26 1117.26 cm-1 View
- 27 1125.24 cm-1 View
- 28 1126.33 cm-1 View
- 29 1133.53 cm-1 View
- 30 1147.45 cm-1 View
- 31 1147.46 cm-1 View
- 32 1151.28 cm-1 View
- 33 1153.23 cm-1 View
- 34 1165.91 cm-1 View
- 35 1172.22 cm-1 View
- 36 1172.77 cm-1 View
- 37 1206.68 cm-1 View
- 38 1245.95 cm-1 View
- 39 1297.44 cm-1 View
- 40 1350.08 cm-1 View
- 41 1379.70 cm-1 View
- 42 1385.42 cm-1 View
- 43 1386.13 cm-1 View
- 44 1408.34 cm-1 View
- 45 1408.93 cm-1 View
- 46 1409.06 cm-1 View
- 47 1409.06 cm-1 View
- 48 1411.75 cm-1 View
- 49 1412.13 cm-1 View
- 50 1418.37 cm-1 View
- 51 1420.12 cm-1 View
- 52 1428.24 cm-1 View
- 53 1434.70 cm-1 View
- 54 1439.54 cm-1 View
- 55 2935.93 cm-1 View
- 56 2941.93 cm-1 View
- 57 2948.85 cm-1 View
- 58 2954.84 cm-1 View
- 59 2958.73 cm-1 View
- 60 2959.78 cm-1 View
- 61 3026.03 cm-1 View
- 62 3028.83 cm-1 View
- 63 3030.57 cm-1 View
- 64 3030.85 cm-1 View
- 65 3034.21 cm-1 View
- 66 3034.30 cm-1 View
- 67 3078.72 cm-1 View
- 68 3078.74 cm-1 View
- 69 3084.62 cm-1 View
- 70 3084.63 cm-1 View
- 71 3181.68 cm-1 View
- 72 3181.69 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 31.72 | kJ mol-1 |
| Polar Solvation Energy | -0.81 | kJ mol-1 |
| Nonpolar Solvation Energy | 32.52 | kJ mol-1 |
| Surface Area | 119.17 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |