ethene ethanol ethanol
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 | 580.84 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 590.75 | 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 | 152.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 185.68 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.47 | J mol-1 K-1 |
| Rotational | 130.25 | J mol-1 K-1 |
| Vibrational | 221.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 520.13 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -440.10 | kJ mol-1 |
Molecular Orbitals
- 1 -551.01 eV View
- 2 -550.92 eV View
- 3 -301.91 eV View
- 4 -301.81 eV View
- 5 -300.58 eV View
- 6 -300.43 eV View
- 7 -300.02 eV View
- 8 -299.99 eV View
- 9 -35.26 eV View
- 10 -35.17 eV View
- 11 -26.84 eV View
- 12 -26.40 eV View
- 13 -26.29 eV View
- 14 -21.94 eV View
- 15 -21.82 eV View
- 16 -20.48 eV View
- 17 -17.26 eV View
- 18 -17.07 eV View
- 19 -16.45 eV View
- 20 -15.55 eV View
- 21 -15.47 eV View
- 22 -15.18 eV View
- 23 -15.08 eV View
- 24 -14.76 eV View
- 25 -13.73 eV View
- 26 -13.55 eV View
- 27 -13.05 eV View
- 28 -12.87 eV View
- 29 -12.10 eV View
- 30 -10.93 eV View
- 31 -10.84 eV View
- 32 -9.54 eV View
- 33 -9.45 eV View
- 34 -9.08 eV View
- 35 8.66 eV View
- 36 14.73 eV View
- 37 15.56 eV View
- 38 15.69 eV View
- 39 15.81 eV View
- 40 17.22 eV View
- 41 17.52 eV View
- 42 18.05 eV View
- 43 18.43 eV View
- 44 18.70 eV View
- 45 19.13 eV View
- 46 19.24 eV View
- 47 20.08 eV View
- 48 20.38 eV View
- 49 20.48 eV View
- 50 20.61 eV View
- 51 21.30 eV View
- 52 21.83 eV View
- 53 22.00 eV View
- 54 23.41 eV View
- 55 26.81 eV View
- 56 27.47 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 4.17 cm-1 View
- 2 8.17 cm-1 View
- 3 12.07 cm-1 View
- 4 19.30 cm-1 View
- 5 35.63 cm-1 View
- 6 43.65 cm-1 View
- 7 54.23 cm-1 View
- 8 65.49 cm-1 View
- 9 90.14 cm-1 View
- 10 147.37 cm-1 View
- 11 182.01 cm-1 View
- 12 196.95 cm-1 View
- 13 316.52 cm-1 View
- 14 326.67 cm-1 View
- 15 341.74 cm-1 View
- 16 383.67 cm-1 View
- 17 464.26 cm-1 View
- 18 470.46 cm-1 View
- 19 834.49 cm-1 View
- 20 840.73 cm-1 View
- 21 852.59 cm-1 View
- 22 904.04 cm-1 View
- 23 965.67 cm-1 View
- 24 966.19 cm-1 View
- 25 1004.37 cm-1 View
- 26 1020.67 cm-1 View
- 27 1024.88 cm-1 View
- 28 1067.99 cm-1 View
- 29 1097.45 cm-1 View
- 30 1101.60 cm-1 View
- 31 1103.96 cm-1 View
- 32 1116.38 cm-1 View
- 33 1118.01 cm-1 View
- 34 1130.21 cm-1 View
- 35 1131.81 cm-1 View
- 36 1306.20 cm-1 View
- 37 1324.58 cm-1 View
- 38 1329.38 cm-1 View
- 39 1333.90 cm-1 View
- 40 1374.31 cm-1 View
- 41 1375.06 cm-1 View
- 42 1380.95 cm-1 View
- 43 1381.99 cm-1 View
- 44 1401.34 cm-1 View
- 45 1405.74 cm-1 View
- 46 1407.88 cm-1 View
- 47 1415.63 cm-1 View
- 48 1423.84 cm-1 View
- 49 1433.84 cm-1 View
- 50 1832.32 cm-1 View
- 51 2939.30 cm-1 View
- 52 2940.06 cm-1 View
- 53 3014.50 cm-1 View
- 54 3027.36 cm-1 View
- 55 3065.56 cm-1 View
- 56 3069.39 cm-1 View
- 57 3089.87 cm-1 View
- 58 3093.53 cm-1 View
- 59 3122.25 cm-1 View
- 60 3135.77 cm-1 View
- 61 3141.06 cm-1 View
- 62 3152.67 cm-1 View
- 63 3193.44 cm-1 View
- 64 3209.48 cm-1 View
- 65 3881.20 cm-1 View
- 66 3886.64 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 14.08 | kJ mol-1 |
| Polar Solvation Energy | -20.16 | kJ mol-1 |
| Nonpolar Solvation Energy | 34.23 | kJ mol-1 |
| Surface Area | 157.09 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.02 | Debye |