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 | 656.94 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 666.86 | 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 | 138.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 171.73 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.83 | J mol-1 K-1 |
| Rotational | 122.90 | J mol-1 K-1 |
| Vibrational | 144.31 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 435.03 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -207.85 | kJ mol-1 |
Molecular Orbitals
- 1 -300.36 eV View
- 2 -300.34 eV View
- 3 -300.27 eV View
- 4 -300.25 eV View
- 5 -300.25 eV View
- 6 -300.24 eV View
- 7 -300.16 eV View
- 8 -300.15 eV View
- 9 -28.71 eV View
- 10 -27.88 eV View
- 11 -26.49 eV View
- 12 -24.72 eV View
- 13 -22.88 eV View
- 14 -21.13 eV View
- 15 -20.44 eV View
- 16 -20.11 eV View
- 17 -16.88 eV View
- 18 -16.03 eV View
- 19 -15.80 eV View
- 20 -15.21 eV View
- 21 -14.76 eV View
- 22 -14.54 eV View
- 23 -13.79 eV View
- 24 -13.38 eV View
- 25 -13.19 eV View
- 26 -12.49 eV View
- 27 -12.21 eV View
- 28 -11.98 eV View
- 29 -11.77 eV View
- 30 -11.50 eV View
- 31 -11.43 eV View
- 32 -11.14 eV View
- 33 -10.28 eV View
- 34 15.49 eV View
- 35 15.58 eV View
- 36 16.40 eV View
- 37 16.91 eV View
- 38 17.25 eV View
- 39 17.81 eV View
- 40 17.91 eV View
- 41 18.29 eV View
- 42 18.77 eV View
- 43 19.25 eV View
- 44 19.34 eV View
- 45 19.54 eV View
- 46 20.22 eV View
- 47 20.33 eV View
- 48 20.58 eV View
- 49 20.66 eV View
- 50 20.96 eV View
- 51 21.20 eV View
- 52 21.43 eV View
- 53 21.90 eV View
- 54 22.01 eV View
- 55 22.06 eV View
- 56 22.38 eV View
- 57 22.70 eV View
- 58 23.03 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 43.75 cm-1 View
- 2 66.44 cm-1 View
- 3 93.64 cm-1 View
- 4 99.41 cm-1 View
- 5 119.45 cm-1 View
- 6 135.03 cm-1 View
- 7 188.72 cm-1 View
- 8 191.33 cm-1 View
- 9 286.18 cm-1 View
- 10 303.68 cm-1 View
- 11 419.36 cm-1 View
- 12 459.01 cm-1 View
- 13 529.04 cm-1 View
- 14 757.52 cm-1 View
- 15 784.41 cm-1 View
- 16 821.51 cm-1 View
- 17 836.41 cm-1 View
- 18 913.59 cm-1 View
- 19 948.92 cm-1 View
- 20 963.65 cm-1 View
- 21 977.36 cm-1 View
- 22 1005.14 cm-1 View
- 23 1028.92 cm-1 View
- 24 1096.09 cm-1 View
- 25 1105.88 cm-1 View
- 26 1115.96 cm-1 View
- 27 1122.84 cm-1 View
- 28 1127.87 cm-1 View
- 29 1131.80 cm-1 View
- 30 1137.25 cm-1 View
- 31 1143.81 cm-1 View
- 32 1155.37 cm-1 View
- 33 1157.74 cm-1 View
- 34 1166.12 cm-1 View
- 35 1175.82 cm-1 View
- 36 1184.31 cm-1 View
- 37 1217.69 cm-1 View
- 38 1258.74 cm-1 View
- 39 1307.56 cm-1 View
- 40 1341.12 cm-1 View
- 41 1377.24 cm-1 View
- 42 1385.92 cm-1 View
- 43 1391.36 cm-1 View
- 44 1405.86 cm-1 View
- 45 1408.58 cm-1 View
- 46 1410.24 cm-1 View
- 47 1410.51 cm-1 View
- 48 1411.61 cm-1 View
- 49 1413.20 cm-1 View
- 50 1417.58 cm-1 View
- 51 1421.62 cm-1 View
- 52 1425.98 cm-1 View
- 53 1429.23 cm-1 View
- 54 1437.32 cm-1 View
- 55 2931.77 cm-1 View
- 56 2938.26 cm-1 View
- 57 2945.13 cm-1 View
- 58 2952.26 cm-1 View
- 59 2954.86 cm-1 View
- 60 2959.34 cm-1 View
- 61 3020.45 cm-1 View
- 62 3023.08 cm-1 View
- 63 3025.92 cm-1 View
- 64 3029.66 cm-1 View
- 65 3030.51 cm-1 View
- 66 3042.00 cm-1 View
- 67 3076.70 cm-1 View
- 68 3078.68 cm-1 View
- 69 3085.05 cm-1 View
- 70 3087.28 cm-1 View
- 71 3181.40 cm-1 View
- 72 3184.60 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 29.08 | kJ mol-1 |
| Polar Solvation Energy | -0.85 | kJ mol-1 |
| Nonpolar Solvation Energy | 29.97 | kJ mol-1 |
| Surface Area | 123.23 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |