ethane ethane
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 | 405.06 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 414.97 | 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 | 76.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 110.13 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.83 | J mol-1 K-1 |
| Rotational | 111.60 | J mol-1 K-1 |
| Vibrational | 127.13 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 398.55 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -154.65 | kJ mol-1 |
Molecular Orbitals
- 1 -300.31 eV View
- 2 -300.30 eV View
- 3 -300.29 eV View
- 4 -300.27 eV View
- 5 -26.81 eV View
- 6 -26.74 eV View
- 7 -22.03 eV View
- 8 -21.81 eV View
- 9 -15.58 eV View
- 10 -15.54 eV View
- 11 -15.44 eV View
- 12 -15.40 eV View
- 13 -13.26 eV View
- 14 -13.01 eV View
- 15 -12.40 eV View
- 16 -12.33 eV View
- 17 -12.20 eV View
- 18 -12.11 eV View
- 19 16.76 eV View
- 20 17.17 eV View
- 21 17.37 eV View
- 22 17.69 eV View
- 23 19.41 eV View
- 24 19.68 eV View
- 25 19.74 eV View
- 26 20.13 eV View
- 27 20.64 eV View
- 28 20.98 eV View
- 29 21.23 eV View
- 30 21.30 eV View
- 31 21.53 eV View
- 32 22.03 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 13.21 cm-1 View
- 2 21.32 cm-1 View
- 3 27.17 cm-1 View
- 4 50.01 cm-1 View
- 5 69.25 cm-1 View
- 6 75.49 cm-1 View
- 7 231.29 cm-1 View
- 8 236.14 cm-1 View
- 9 876.83 cm-1 View
- 10 877.27 cm-1 View
- 11 879.25 cm-1 View
- 12 881.03 cm-1 View
- 13 1118.12 cm-1 View
- 14 1118.73 cm-1 View
- 15 1120.00 cm-1 View
- 16 1120.84 cm-1 View
- 17 1138.79 cm-1 View
- 18 1139.67 cm-1 View
- 19 1358.74 cm-1 View
- 20 1359.65 cm-1 View
- 21 1405.83 cm-1 View
- 22 1408.00 cm-1 View
- 23 1408.34 cm-1 View
- 24 1409.22 cm-1 View
- 25 1412.36 cm-1 View
- 26 1413.26 cm-1 View
- 27 1413.59 cm-1 View
- 28 1414.74 cm-1 View
- 29 1443.70 cm-1 View
- 30 1444.44 cm-1 View
- 31 3062.67 cm-1 View
- 32 3070.08 cm-1 View
- 33 3073.93 cm-1 View
- 34 3075.41 cm-1 View
- 35 3085.16 cm-1 View
- 36 3086.11 cm-1 View
- 37 3087.83 cm-1 View
- 38 3088.70 cm-1 View
- 39 3176.73 cm-1 View
- 40 3181.17 cm-1 View
- 41 3185.48 cm-1 View
- 42 3185.54 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 22.46 | kJ mol-1 |
| Polar Solvation Energy | -0.65 | kJ mol-1 |
| Nonpolar Solvation Energy | 23.12 | kJ mol-1 |
| Surface Area | 104.18 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.02 | Debye |