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 | 453.91 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 463.83 | 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 | 109.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 143.23 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.74 | J mol-1 K-1 |
| Rotational | 117.65 | J mol-1 K-1 |
| Vibrational | 121.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 404.16 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 586.28 | kJ mol-1 |
Molecular Orbitals
- 1 -554.54 eV View
- 2 -312.18 eV View
- 3 -307.61 eV View
- 4 -307.58 eV View
- 5 -305.90 eV View
- 6 -305.40 eV View
- 7 -38.69 eV View
- 8 -36.07 eV View
- 9 -31.82 eV View
- 10 -30.73 eV View
- 11 -27.69 eV View
- 12 -25.78 eV View
- 13 -23.81 eV View
- 14 -22.10 eV View
- 15 -22.08 eV View
- 16 -21.04 eV View
- 17 -20.32 eV View
- 18 -20.00 eV View
- 19 -19.82 eV View
- 20 -19.57 eV View
- 21 -18.26 eV View
- 22 -17.71 eV View
- 23 -17.09 eV View
- 24 -14.69 eV View
- 25 -13.00 eV View
- 26 -3.53 eV View
- 27 8.49 eV View
- 28 10.28 eV View
- 29 10.86 eV View
- 30 11.46 eV View
- 31 11.78 eV View
- 32 12.24 eV View
- 33 12.88 eV View
- 34 13.38 eV View
- 35 13.99 eV View
- 36 14.21 eV View
- 37 15.26 eV View
- 38 15.45 eV View
- 39 15.57 eV View
- 40 16.10 eV View
- 41 16.44 eV View
- 42 16.99 eV View
- 43 18.18 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 20.65 cm-1 View
- 2 49.27 cm-1 View
- 3 52.72 cm-1 View
- 4 110.25 cm-1 View
- 5 128.49 cm-1 View
- 6 150.35 cm-1 View
- 7 160.94 cm-1 View
- 8 182.84 cm-1 View
- 9 295.72 cm-1 View
- 10 362.92 cm-1 View
- 11 441.93 cm-1 View
- 12 483.95 cm-1 View
- 13 734.29 cm-1 View
- 14 789.12 cm-1 View
- 15 836.70 cm-1 View
- 16 923.03 cm-1 View
- 17 940.01 cm-1 View
- 18 994.42 cm-1 View
- 19 1019.84 cm-1 View
- 20 1031.02 cm-1 View
- 21 1083.35 cm-1 View
- 22 1100.66 cm-1 View
- 23 1130.47 cm-1 View
- 24 1160.37 cm-1 View
- 25 1209.10 cm-1 View
- 26 1264.68 cm-1 View
- 27 1274.87 cm-1 View
- 28 1300.56 cm-1 View
- 29 1305.10 cm-1 View
- 30 1312.19 cm-1 View
- 31 1312.59 cm-1 View
- 32 1364.81 cm-1 View
- 33 1377.54 cm-1 View
- 34 1378.35 cm-1 View
- 35 1393.46 cm-1 View
- 36 1415.19 cm-1 View
- 37 1437.38 cm-1 View
- 38 1515.12 cm-1 View
- 39 2752.06 cm-1 View
- 40 2879.46 cm-1 View
- 41 2936.85 cm-1 View
- 42 2954.06 cm-1 View
- 43 2958.72 cm-1 View
- 44 2967.58 cm-1 View
- 45 3017.75 cm-1 View
- 46 3045.30 cm-1 View
- 47 3074.87 cm-1 View
- 48 3099.90 cm-1 View
- 49 3114.48 cm-1 View
- 50 3149.48 cm-1 View
- 51 3895.81 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -199.89 | kJ mol-1 |
| Polar Solvation Energy | -224.68 | kJ mol-1 |
| Nonpolar Solvation Energy | 24.79 | kJ mol-1 |
| Surface Area | 112.32 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 9.42 | Debye |