Decane
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 | 810.69 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 820.61 | 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 | 179.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 212.74 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.57 | J mol-1 K-1 |
| Rotational | 128.55 | J mol-1 K-1 |
| Vibrational | 196.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 495.81 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -257.42 | kJ mol-1 |
Molecular Orbitals
- 1 -300.35 eV View
- 2 -300.35 eV View
- 3 -300.25 eV View
- 4 -300.25 eV View
- 5 -300.24 eV View
- 6 -300.24 eV View
- 7 -300.23 eV View
- 8 -300.23 eV View
- 9 -300.15 eV View
- 10 -300.15 eV View
- 11 -28.79 eV View
- 12 -28.24 eV View
- 13 -27.31 eV View
- 14 -26.06 eV View
- 15 -24.53 eV View
- 16 -22.85 eV View
- 17 -21.28 eV View
- 18 -20.55 eV View
- 19 -20.31 eV View
- 20 -20.27 eV View
- 21 -17.08 eV View
- 22 -16.58 eV View
- 23 -15.79 eV View
- 24 -15.34 eV View
- 25 -15.01 eV View
- 26 -14.79 eV View
- 27 -14.72 eV View
- 28 -13.80 eV View
- 29 -13.71 eV View
- 30 -13.49 eV View
- 31 -12.85 eV View
- 32 -12.72 eV View
- 33 -12.12 eV View
- 34 -11.96 eV View
- 35 -11.76 eV View
- 36 -11.55 eV View
- 37 -11.52 eV View
- 38 -11.52 eV View
- 39 -11.35 eV View
- 40 -11.34 eV View
- 41 -10.00 eV View
- 42 15.29 eV View
- 43 15.40 eV View
- 44 15.90 eV View
- 45 16.79 eV View
- 46 16.80 eV View
- 47 17.83 eV View
- 48 17.84 eV View
- 49 17.85 eV View
- 50 18.00 eV View
- 51 18.61 eV View
- 52 18.64 eV View
- 53 18.88 eV View
- 54 19.58 eV View
- 55 19.87 eV View
- 56 19.92 eV View
- 57 20.03 eV View
- 58 20.36 eV View
- 59 20.46 eV View
- 60 20.55 eV View
- 61 20.81 eV View
- 62 20.86 eV View
- 63 21.11 eV View
- 64 21.42 eV View
- 65 21.60 eV View
- 66 21.67 eV View
- 67 22.04 eV View
- 68 22.10 eV View
- 69 22.39 eV View
- 70 22.45 eV View
- 71 22.46 eV View
- 72 22.90 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 43.79 cm-1 View
- 2 61.47 cm-1 View
- 3 64.93 cm-1 View
- 4 70.14 cm-1 View
- 5 94.65 cm-1 View
- 6 108.33 cm-1 View
- 7 127.32 cm-1 View
- 8 134.07 cm-1 View
- 9 160.77 cm-1 View
- 10 197.47 cm-1 View
- 11 197.84 cm-1 View
- 12 240.02 cm-1 View
- 13 279.57 cm-1 View
- 14 403.00 cm-1 View
- 15 433.02 cm-1 View
- 16 516.49 cm-1 View
- 17 541.94 cm-1 View
- 18 754.63 cm-1 View
- 19 763.25 cm-1 View
- 20 781.51 cm-1 View
- 21 811.97 cm-1 View
- 22 853.47 cm-1 View
- 23 900.35 cm-1 View
- 24 944.76 cm-1 View
- 25 956.93 cm-1 View
- 26 958.47 cm-1 View
- 27 979.70 cm-1 View
- 28 1001.88 cm-1 View
- 29 1083.18 cm-1 View
- 30 1105.47 cm-1 View
- 31 1109.96 cm-1 View
- 32 1115.89 cm-1 View
- 33 1116.95 cm-1 View
- 34 1122.51 cm-1 View
- 35 1123.15 cm-1 View
- 36 1137.83 cm-1 View
- 37 1137.84 cm-1 View
- 38 1138.04 cm-1 View
- 39 1139.74 cm-1 View
- 40 1154.70 cm-1 View
- 41 1158.10 cm-1 View
- 42 1158.77 cm-1 View
- 43 1161.03 cm-1 View
- 44 1162.68 cm-1 View
- 45 1176.45 cm-1 View
- 46 1176.85 cm-1 View
- 47 1199.40 cm-1 View
- 48 1227.95 cm-1 View
- 49 1262.50 cm-1 View
- 50 1304.63 cm-1 View
- 51 1346.85 cm-1 View
- 52 1375.29 cm-1 View
- 53 1384.90 cm-1 View
- 54 1385.45 cm-1 View
- 55 1386.12 cm-1 View
- 56 1407.20 cm-1 View
- 57 1407.25 cm-1 View
- 58 1409.06 cm-1 View
- 59 1409.08 cm-1 View
- 60 1411.52 cm-1 View
- 61 1411.94 cm-1 View
- 62 1414.54 cm-1 View
- 63 1415.40 cm-1 View
- 64 1423.25 cm-1 View
- 65 1423.71 cm-1 View
- 66 1430.97 cm-1 View
- 67 1436.56 cm-1 View
- 68 1439.88 cm-1 View
- 69 2934.96 cm-1 View
- 70 2938.77 cm-1 View
- 71 2943.92 cm-1 View
- 72 2949.20 cm-1 View
- 73 2953.85 cm-1 View
- 74 2957.30 cm-1 View
- 75 2959.27 cm-1 View
- 76 2959.73 cm-1 View
- 77 3025.44 cm-1 View
- 78 3027.24 cm-1 View
- 79 3029.33 cm-1 View
- 80 3030.29 cm-1 View
- 81 3030.75 cm-1 View
- 82 3030.92 cm-1 View
- 83 3034.25 cm-1 View
- 84 3034.25 cm-1 View
- 85 3078.75 cm-1 View
- 86 3078.76 cm-1 View
- 87 3084.61 cm-1 View
- 88 3084.66 cm-1 View
- 89 3181.69 cm-1 View
- 90 3181.71 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 31.78 | kJ mol-1 |
| Polar Solvation Energy | -0.97 | kJ mol-1 |
| Nonpolar Solvation Energy | 32.77 | kJ mol-1 |
| Surface Area | 142.60 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |