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 | 426.97 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 436.89 | 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 | 75.75 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 109.01 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.10 | J mol-1 K-1 |
| Rotational | 108.97 | J mol-1 K-1 |
| Vibrational | 60.25 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 331.32 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -140.99 | kJ mol-1 |
Molecular Orbitals
- 1 -300.37 eV View
- 2 -300.34 eV View
- 3 -300.28 eV View
- 4 -300.17 eV View
- 5 -300.15 eV View
- 6 -28.48 eV View
- 7 -26.42 eV View
- 8 -23.96 eV View
- 9 -21.87 eV View
- 10 -19.71 eV View
- 11 -16.57 eV View
- 12 -16.18 eV View
- 13 -14.73 eV View
- 14 -14.58 eV View
- 15 -14.16 eV View
- 16 -13.03 eV View
- 17 -12.56 eV View
- 18 -12.37 eV View
- 19 -11.38 eV View
- 20 -11.16 eV View
- 21 -11.05 eV View
- 22 15.63 eV View
- 23 16.06 eV View
- 24 17.21 eV View
- 25 17.75 eV View
- 26 18.18 eV View
- 27 18.51 eV View
- 28 19.32 eV View
- 29 19.52 eV View
- 30 20.15 eV View
- 31 20.40 eV View
- 32 21.19 eV View
- 33 21.45 eV View
- 34 21.65 eV View
- 35 22.30 eV View
- 36 22.49 eV View
- 37 23.45 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 89.39 cm-1 View
- 2 164.67 cm-1 View
- 3 187.94 cm-1 View
- 4 244.76 cm-1 View
- 5 358.00 cm-1 View
- 6 429.27 cm-1 View
- 7 485.08 cm-1 View
- 8 807.77 cm-1 View
- 9 833.45 cm-1 View
- 10 895.08 cm-1 View
- 11 925.13 cm-1 View
- 12 968.91 cm-1 View
- 13 1024.97 cm-1 View
- 14 1042.18 cm-1 View
- 15 1058.43 cm-1 View
- 16 1122.45 cm-1 View
- 17 1130.78 cm-1 View
- 18 1138.96 cm-1 View
- 19 1158.25 cm-1 View
- 20 1164.82 cm-1 View
- 21 1189.80 cm-1 View
- 22 1282.67 cm-1 View
- 23 1326.13 cm-1 View
- 24 1360.78 cm-1 View
- 25 1390.99 cm-1 View
- 26 1401.10 cm-1 View
- 27 1407.73 cm-1 View
- 28 1410.53 cm-1 View
- 29 1411.15 cm-1 View
- 30 1413.46 cm-1 View
- 31 1422.07 cm-1 View
- 32 1426.82 cm-1 View
- 33 1441.45 cm-1 View
- 34 2918.44 cm-1 View
- 35 2951.42 cm-1 View
- 36 2958.14 cm-1 View
- 37 3015.14 cm-1 View
- 38 3032.38 cm-1 View
- 39 3037.05 cm-1 View
- 40 3043.43 cm-1 View
- 41 3074.43 cm-1 View
- 42 3082.30 cm-1 View
- 43 3087.76 cm-1 View
- 44 3169.24 cm-1 View
- 45 3178.69 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 16.06 | kJ mol-1 |
| Polar Solvation Energy | -0.66 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.76 | kJ mol-1 |
| Surface Area | 96.34 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.05 | Debye |