Pentane
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 | 426.84 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 436.76 | 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 | 77.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 111.13 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.10 | J mol-1 K-1 |
| Rotational | 108.90 | J mol-1 K-1 |
| Vibrational | 69.65 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 340.65 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -144.13 | kJ mol-1 |
Molecular Orbitals
- 1 -300.38 eV View
- 2 -300.38 eV View
- 3 -300.30 eV View
- 4 -300.16 eV View
- 5 -300.16 eV View
- 6 -28.40 eV View
- 7 -26.61 eV View
- 8 -23.94 eV View
- 9 -21.22 eV View
- 10 -20.43 eV View
- 11 -16.75 eV View
- 12 -15.47 eV View
- 13 -15.27 eV View
- 14 -14.27 eV View
- 15 -13.96 eV View
- 16 -13.39 eV View
- 17 -12.62 eV View
- 18 -11.94 eV View
- 19 -11.69 eV View
- 20 -11.41 eV View
- 21 -10.93 eV View
- 22 15.74 eV View
- 23 16.12 eV View
- 24 17.41 eV View
- 25 17.90 eV View
- 26 18.41 eV View
- 27 18.79 eV View
- 28 19.34 eV View
- 29 20.09 eV View
- 30 20.16 eV View
- 31 20.56 eV View
- 32 21.16 eV View
- 33 21.19 eV View
- 34 21.46 eV View
- 35 21.91 eV View
- 36 22.02 eV View
- 37 22.51 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 95.20 cm-1 View
- 2 95.50 cm-1 View
- 3 196.07 cm-1 View
- 4 199.76 cm-1 View
- 5 214.06 cm-1 View
- 6 429.42 cm-1 View
- 7 440.27 cm-1 View
- 8 765.46 cm-1 View
- 9 818.14 cm-1 View
- 10 905.00 cm-1 View
- 11 933.30 cm-1 View
- 12 978.88 cm-1 View
- 13 986.15 cm-1 View
- 14 1105.97 cm-1 View
- 15 1121.39 cm-1 View
- 16 1124.24 cm-1 View
- 17 1129.64 cm-1 View
- 18 1146.76 cm-1 View
- 19 1153.57 cm-1 View
- 20 1158.68 cm-1 View
- 21 1167.77 cm-1 View
- 22 1230.81 cm-1 View
- 23 1322.29 cm-1 View
- 24 1377.65 cm-1 View
- 25 1385.87 cm-1 View
- 26 1408.93 cm-1 View
- 27 1409.16 cm-1 View
- 28 1411.43 cm-1 View
- 29 1411.63 cm-1 View
- 30 1414.10 cm-1 View
- 31 1415.00 cm-1 View
- 32 1432.15 cm-1 View
- 33 1437.64 cm-1 View
- 34 2941.63 cm-1 View
- 35 2953.79 cm-1 View
- 36 2960.41 cm-1 View
- 37 3029.96 cm-1 View
- 38 3034.17 cm-1 View
- 39 3035.10 cm-1 View
- 40 3078.62 cm-1 View
- 41 3078.81 cm-1 View
- 42 3084.11 cm-1 View
- 43 3084.85 cm-1 View
- 44 3181.20 cm-1 View
- 45 3181.89 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 16.83 | kJ mol-1 |
| Polar Solvation Energy | -0.76 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.60 | kJ mol-1 |
| Surface Area | 93.27 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |