ethanol ethane molecular hydrogen
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 | 459.67 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 469.58 | 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 | 128.96 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 162.22 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.10 | J mol-1 K-1 |
| Rotational | 119.30 | J mol-1 K-1 |
| Vibrational | 189.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 472.17 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -382.14 | kJ mol-1 |
Molecular Orbitals
- 1 -550.94 eV View
- 2 -301.82 eV View
- 3 -300.45 eV View
- 4 -300.37 eV View
- 5 -300.36 eV View
- 6 -35.18 eV View
- 7 -26.83 eV View
- 8 -26.30 eV View
- 9 -22.05 eV View
- 10 -21.76 eV View
- 11 -17.01 eV View
- 12 -16.40 eV View
- 13 -15.55 eV View
- 14 -15.54 eV View
- 15 -15.33 eV View
- 16 -15.07 eV View
- 17 -13.59 eV View
- 18 -13.15 eV View
- 19 -12.81 eV View
- 20 -12.33 eV View
- 21 -12.31 eV View
- 22 -10.87 eV View
- 23 -9.46 eV View
- 24 15.66 eV View
- 25 16.60 eV View
- 26 17.16 eV View
- 27 17.20 eV View
- 28 18.30 eV View
- 29 19.10 eV View
- 30 19.20 eV View
- 31 19.46 eV View
- 32 19.63 eV View
- 33 20.09 eV View
- 34 20.43 eV View
- 35 20.62 eV View
- 36 21.11 eV View
- 37 21.21 eV View
- 38 21.27 eV View
- 39 21.89 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 16.60 cm-1 View
- 2 19.73 cm-1 View
- 3 28.62 cm-1 View
- 4 50.27 cm-1 View
- 5 56.90 cm-1 View
- 6 60.73 cm-1 View
- 7 82.73 cm-1 View
- 8 130.17 cm-1 View
- 9 189.95 cm-1 View
- 10 211.80 cm-1 View
- 11 258.53 cm-1 View
- 12 268.62 cm-1 View
- 13 292.77 cm-1 View
- 14 337.04 cm-1 View
- 15 465.18 cm-1 View
- 16 836.87 cm-1 View
- 17 883.35 cm-1 View
- 18 885.75 cm-1 View
- 19 967.94 cm-1 View
- 20 1015.16 cm-1 View
- 21 1101.42 cm-1 View
- 22 1114.20 cm-1 View
- 23 1122.54 cm-1 View
- 24 1124.52 cm-1 View
- 25 1125.44 cm-1 View
- 26 1137.49 cm-1 View
- 27 1330.27 cm-1 View
- 28 1361.84 cm-1 View
- 29 1375.38 cm-1 View
- 30 1381.55 cm-1 View
- 31 1403.80 cm-1 View
- 32 1408.38 cm-1 View
- 33 1409.17 cm-1 View
- 34 1410.52 cm-1 View
- 35 1414.09 cm-1 View
- 36 1415.87 cm-1 View
- 37 1423.14 cm-1 View
- 38 1443.89 cm-1 View
- 39 2935.23 cm-1 View
- 40 3024.60 cm-1 View
- 41 3056.90 cm-1 View
- 42 3064.21 cm-1 View
- 43 3071.70 cm-1 View
- 44 3073.66 cm-1 View
- 45 3074.21 cm-1 View
- 46 3079.10 cm-1 View
- 47 3168.77 cm-1 View
- 48 3172.32 cm-1 View
- 49 3173.01 cm-1 View
- 50 3884.19 cm-1 View
- 51 4447.71 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 88.35 | kJ mol-1 |
| Polar Solvation Energy | -10.46 | kJ mol-1 |
| Nonpolar Solvation Energy | 98.82 | kJ mol-1 |
| Surface Area | 122.87 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.79 | Debye |