ethane methane
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 | 330.70 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 340.62 | 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 | 68.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 101.81 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 156.52 | J mol-1 K-1 |
| Rotational | 104.72 | J mol-1 K-1 |
| Vibrational | 94.27 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 355.50 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -135.11 | kJ mol-1 |
Molecular Orbitals
- 1 -300.31 eV View
- 2 -300.28 eV View
- 3 -300.10 eV View
- 4 -26.80 eV View
- 5 -24.75 eV View
- 6 -21.93 eV View
- 7 -15.61 eV View
- 8 -15.50 eV View
- 9 -14.13 eV View
- 10 -14.11 eV View
- 11 -13.99 eV View
- 12 -13.12 eV View
- 13 -12.29 eV View
- 14 -12.27 eV View
- 15 17.21 eV View
- 16 17.27 eV View
- 17 18.90 eV View
- 18 19.33 eV View
- 19 19.50 eV View
- 20 19.69 eV View
- 21 19.85 eV View
- 22 20.89 eV View
- 23 21.16 eV View
- 24 21.28 eV View
- 25 21.81 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 78.60 cm-1 View
- 2 84.71 cm-1 View
- 3 98.22 cm-1 View
- 4 105.20 cm-1 View
- 5 119.71 cm-1 View
- 6 168.74 cm-1 View
- 7 245.33 cm-1 View
- 8 879.87 cm-1 View
- 9 885.01 cm-1 View
- 10 1120.50 cm-1 View
- 11 1122.43 cm-1 View
- 12 1138.04 cm-1 View
- 13 1358.29 cm-1 View
- 14 1360.70 cm-1 View
- 15 1362.26 cm-1 View
- 16 1367.19 cm-1 View
- 17 1406.25 cm-1 View
- 18 1409.26 cm-1 View
- 19 1412.18 cm-1 View
- 20 1415.98 cm-1 View
- 21 1443.13 cm-1 View
- 22 1448.02 cm-1 View
- 23 1456.27 cm-1 View
- 24 3067.86 cm-1 View
- 25 3072.65 cm-1 View
- 26 3085.78 cm-1 View
- 27 3088.23 cm-1 View
- 28 3179.62 cm-1 View
- 29 3181.51 cm-1 View
- 30 3188.66 cm-1 View
- 31 3202.13 cm-1 View
- 32 3208.79 cm-1 View
- 33 3302.93 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 16.45 | kJ mol-1 |
| Polar Solvation Energy | -0.42 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.85 | kJ mol-1 |
| Surface Area | 89.27 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |