Ethyl acetate
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 | 317.35 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 327.27 | 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 | 78.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 111.70 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.59 | J mol-1 K-1 |
| Rotational | 111.50 | J mol-1 K-1 |
| Vibrational | 79.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 355.42 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -415.37 | kJ mol-1 |
Molecular Orbitals
- 1 -551.87 eV View
- 2 -550.85 eV View
- 3 -303.86 eV View
- 4 -302.25 eV View
- 5 -301.06 eV View
- 6 -300.58 eV View
- 7 -37.38 eV View
- 8 -34.55 eV View
- 9 -27.10 eV View
- 10 -25.89 eV View
- 11 -22.38 eV View
- 12 -18.82 eV View
- 13 -17.28 eV View
- 14 -16.28 eV View
- 15 -15.84 eV View
- 16 -15.03 eV View
- 17 -14.82 eV View
- 18 -14.21 eV View
- 19 -13.55 eV View
- 20 -12.81 eV View
- 21 -12.17 eV View
- 22 -10.98 eV View
- 23 -9.09 eV View
- 24 -8.79 eV View
- 25 8.50 eV View
- 26 14.23 eV View
- 27 16.39 eV View
- 28 17.47 eV View
- 29 17.93 eV View
- 30 18.79 eV View
- 31 19.11 eV View
- 32 19.50 eV View
- 33 19.59 eV View
- 34 20.22 eV View
- 35 20.39 eV View
- 36 20.78 eV View
- 37 22.16 eV View
- 38 27.77 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 72.70 cm-1 View
- 2 82.13 cm-1 View
- 3 106.75 cm-1 View
- 4 165.17 cm-1 View
- 5 288.93 cm-1 View
- 6 382.18 cm-1 View
- 7 467.87 cm-1 View
- 8 567.48 cm-1 View
- 9 601.32 cm-1 View
- 10 835.32 cm-1 View
- 11 901.73 cm-1 View
- 12 983.64 cm-1 View
- 13 992.69 cm-1 View
- 14 1009.62 cm-1 View
- 15 1111.50 cm-1 View
- 16 1114.11 cm-1 View
- 17 1115.41 cm-1 View
- 18 1146.23 cm-1 View
- 19 1310.28 cm-1 View
- 20 1335.33 cm-1 View
- 21 1361.86 cm-1 View
- 22 1381.68 cm-1 View
- 23 1388.50 cm-1 View
- 24 1400.87 cm-1 View
- 25 1404.17 cm-1 View
- 26 1406.84 cm-1 View
- 27 1410.19 cm-1 View
- 28 1975.05 cm-1 View
- 29 2956.90 cm-1 View
- 30 3026.51 cm-1 View
- 31 3084.29 cm-1 View
- 32 3087.24 cm-1 View
- 33 3090.17 cm-1 View
- 34 3090.49 cm-1 View
- 35 3177.08 cm-1 View
- 36 3185.68 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -0.46 | kJ mol-1 |
| Polar Solvation Energy | -16.95 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.47 | kJ mol-1 |
| Surface Area | 98.53 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.21 | Debye |