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 | 407.53 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 417.45 | 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 | 84.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 117.83 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.83 | J mol-1 K-1 |
| Rotational | 110.50 | J mol-1 K-1 |
| Vibrational | 126.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 396.61 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -157.11 | kJ mol-1 |
Molecular Orbitals
- 1 -300.31 eV View
- 2 -300.29 eV View
- 3 -300.28 eV View
- 4 -300.28 eV View
- 5 -26.87 eV View
- 6 -26.70 eV View
- 7 -21.98 eV View
- 8 -21.86 eV View
- 9 -15.86 eV View
- 10 -15.55 eV View
- 11 -15.43 eV View
- 12 -15.17 eV View
- 13 -13.16 eV View
- 14 -13.07 eV View
- 15 -12.46 eV View
- 16 -12.33 eV View
- 17 -12.22 eV View
- 18 -12.11 eV View
- 19 16.78 eV View
- 20 17.06 eV View
- 21 17.44 eV View
- 22 17.59 eV View
- 23 19.15 eV View
- 24 19.63 eV View
- 25 19.67 eV View
- 26 20.23 eV View
- 27 20.74 eV View
- 28 21.00 eV View
- 29 21.10 eV View
- 30 21.39 eV View
- 31 21.62 eV View
- 32 22.29 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 26.81 cm-1 View
- 2 51.36 cm-1 View
- 3 66.36 cm-1 View
- 4 77.54 cm-1 View
- 5 103.16 cm-1 View
- 6 121.10 cm-1 View
- 7 242.20 cm-1 View
- 8 247.85 cm-1 View
- 9 879.32 cm-1 View
- 10 880.75 cm-1 View
- 11 881.83 cm-1 View
- 12 884.16 cm-1 View
- 13 1119.85 cm-1 View
- 14 1120.72 cm-1 View
- 15 1121.24 cm-1 View
- 16 1122.14 cm-1 View
- 17 1138.18 cm-1 View
- 18 1138.79 cm-1 View
- 19 1357.42 cm-1 View
- 20 1359.20 cm-1 View
- 21 1403.50 cm-1 View
- 22 1404.11 cm-1 View
- 23 1408.00 cm-1 View
- 24 1409.29 cm-1 View
- 25 1409.90 cm-1 View
- 26 1410.83 cm-1 View
- 27 1412.99 cm-1 View
- 28 1420.22 cm-1 View
- 29 1443.01 cm-1 View
- 30 1443.88 cm-1 View
- 31 3061.50 cm-1 View
- 32 3062.86 cm-1 View
- 33 3069.58 cm-1 View
- 34 3071.43 cm-1 View
- 35 3084.09 cm-1 View
- 36 3085.69 cm-1 View
- 37 3087.10 cm-1 View
- 38 3087.35 cm-1 View
- 39 3175.91 cm-1 View
- 40 3176.82 cm-1 View
- 41 3179.85 cm-1 View
- 42 3181.74 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 16.09 | kJ mol-1 |
| Polar Solvation Energy | -0.51 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.59 | kJ mol-1 |
| Surface Area | 96.75 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |