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 | 240.14 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 250.06 | 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 | 58.18 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 91.44 | 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 | 52.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 320.75 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -388.44 | 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 -26.60 eV View
- 9 -24.77 eV View
- 10 -19.28 eV View
- 11 -17.25 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 19.86 eV View
- 30 22.98 eV View
- 31 27.93 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 97.29 cm-1 View
- 2 131.30 cm-1 View
- 3 201.84 cm-1 View
- 4 298.00 cm-1 View
- 5 471.90 cm-1 View
- 6 553.86 cm-1 View
- 7 567.73 cm-1 View
- 8 901.80 cm-1 View
- 9 989.62 cm-1 View
- 10 1000.24 cm-1 View
- 11 1013.80 cm-1 View
- 12 1070.35 cm-1 View
- 13 1163.94 cm-1 View
- 14 1350.64 cm-1 View
- 15 1358.46 cm-1 View
- 16 1358.96 cm-1 View
- 17 1379.80 cm-1 View
- 18 1388.17 cm-1 View
- 19 1394.11 cm-1 View
- 20 1422.31 cm-1 View
- 21 1992.87 cm-1 View
- 22 3046.02 cm-1 View
- 23 3077.46 cm-1 View
- 24 3077.49 cm-1 View
- 25 3085.92 cm-1 View
- 26 3144.34 cm-1 View
- 27 3172.30 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -17.01 | kJ mol-1 |
| Polar Solvation Energy | -28.08 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.08 | kJ mol-1 |
| Surface Area | 92.11 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.18 | Debye |