Methyl 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 | 240.16 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 250.07 | 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 | 58.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 91.43 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.43 | J mol-1 K-1 |
| Rotational | 106.31 | J mol-1 K-1 |
| Vibrational | 51.92 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 320.66 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -388.47 | kJ mol-1 |
Molecular Orbitals
- 1 -552.29 eV View
- 2 -550.96 eV View
- 3 -303.84 eV View
- 4 -302.30 eV View
- 5 -301.42 eV View
- 6 -37.58 eV View
- 7 -34.61 eV View
- 8 -26.61 eV View
- 9 -24.77 eV View
- 10 -19.28 eV View
- 11 -17.26 eV View
- 12 -16.95 eV View
- 13 -16.17 eV View
- 14 -15.28 eV View
- 15 -14.78 eV View
- 16 -13.28 eV View
- 17 -12.74 eV View
- 18 -11.46 eV View
- 19 -9.09 eV View
- 20 -8.76 eV View
- 21 8.46 eV View
- 22 15.06 eV View
- 23 16.54 eV View
- 24 17.24 eV View
- 25 17.85 eV View
- 26 18.29 eV View
- 27 19.07 eV View
- 28 19.50 eV View
- 29 19.87 eV View
- 30 22.98 eV View
- 31 27.93 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 98.15 cm-1 View
- 2 131.42 cm-1 View
- 3 202.28 cm-1 View
- 4 298.13 cm-1 View
- 5 471.74 cm-1 View
- 6 553.88 cm-1 View
- 7 567.71 cm-1 View
- 8 901.91 cm-1 View
- 9 989.44 cm-1 View
- 10 1000.13 cm-1 View
- 11 1013.76 cm-1 View
- 12 1070.34 cm-1 View
- 13 1163.94 cm-1 View
- 14 1350.53 cm-1 View
- 15 1358.52 cm-1 View
- 16 1358.92 cm-1 View
- 17 1379.81 cm-1 View
- 18 1388.17 cm-1 View
- 19 1394.21 cm-1 View
- 20 1422.37 cm-1 View
- 21 1992.82 cm-1 View
- 22 3045.87 cm-1 View
- 23 3077.39 cm-1 View
- 24 3078.25 cm-1 View
- 25 3086.96 cm-1 View
- 26 3143.78 cm-1 View
- 27 3173.38 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -17.88 | kJ mol-1 |
| Polar Solvation Energy | -28.14 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.24 | kJ mol-1 |
| Surface Area | 88.85 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.18 | Debye |