Butane
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 | 349.97 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 359.88 | 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 | 56.09 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 89.35 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.40 | J mol-1 K-1 |
| Rotational | 102.75 | J mol-1 K-1 |
| Vibrational | 38.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 300.87 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -119.31 | kJ mol-1 |
Molecular Orbitals
- 1 -300.39 eV View
- 2 -300.38 eV View
- 3 -300.15 eV View
- 4 -300.15 eV View
- 5 -28.22 eV View
- 6 -25.46 eV View
- 7 -22.74 eV View
- 8 -20.13 eV View
- 9 -16.28 eV View
- 10 -16.07 eV View
- 11 -14.83 eV View
- 12 -13.68 eV View
- 13 -13.38 eV View
- 14 -12.82 eV View
- 15 -11.57 eV View
- 16 -11.45 eV View
- 17 -11.36 eV View
- 18 16.18 eV View
- 19 16.20 eV View
- 20 17.53 eV View
- 21 18.09 eV View
- 22 18.83 eV View
- 23 19.28 eV View
- 24 19.77 eV View
- 25 20.60 eV View
- 26 21.25 eV View
- 27 21.26 eV View
- 28 22.01 eV View
- 29 22.05 eV View
- 30 23.06 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 173.83 cm-1 View
- 2 201.30 cm-1 View
- 3 254.71 cm-1 View
- 4 362.40 cm-1 View
- 5 477.50 cm-1 View
- 6 813.65 cm-1 View
- 7 853.36 cm-1 View
- 8 917.46 cm-1 View
- 9 980.49 cm-1 View
- 10 1024.97 cm-1 View
- 11 1034.95 cm-1 View
- 12 1123.08 cm-1 View
- 13 1125.14 cm-1 View
- 14 1145.80 cm-1 View
- 15 1145.81 cm-1 View
- 16 1171.34 cm-1 View
- 17 1295.42 cm-1 View
- 18 1344.29 cm-1 View
- 19 1388.31 cm-1 View
- 20 1397.90 cm-1 View
- 21 1405.74 cm-1 View
- 22 1409.39 cm-1 View
- 23 1414.34 cm-1 View
- 24 1415.59 cm-1 View
- 25 1426.09 cm-1 View
- 26 1428.33 cm-1 View
- 27 2955.65 cm-1 View
- 28 2962.13 cm-1 View
- 29 3025.75 cm-1 View
- 30 3036.60 cm-1 View
- 31 3042.31 cm-1 View
- 32 3052.10 cm-1 View
- 33 3087.99 cm-1 View
- 34 3088.34 cm-1 View
- 35 3167.53 cm-1 View
- 36 3170.96 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 13.88 | kJ mol-1 |
| Polar Solvation Energy | -0.59 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.46 | kJ mol-1 |
| Surface Area | 82.63 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.05 | Debye |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]