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 | 239.93 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 249.84 | 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 | 58.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 91.87 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.43 | J mol-1 K-1 |
| Rotational | 106.01 | J mol-1 K-1 |
| Vibrational | 55.82 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 324.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -393.33 | kJ mol-1 |
Molecular Orbitals
- 1 -552.07 eV View
- 2 -550.97 eV View
- 3 -303.92 eV View
- 4 -302.17 eV View
- 5 -301.13 eV View
- 6 -37.51 eV View
- 7 -34.63 eV View
- 8 -26.62 eV View
- 9 -24.35 eV View
- 10 -19.05 eV View
- 11 -17.16 eV View
- 12 -16.67 eV View
- 13 -15.82 eV View
- 14 -15.18 eV View
- 15 -14.34 eV View
- 16 -13.82 eV View
- 17 -12.35 eV View
- 18 -11.33 eV View
- 19 -9.17 eV View
- 20 -8.98 eV View
- 21 8.42 eV View
- 22 14.72 eV View
- 23 17.48 eV View
- 24 17.70 eV View
- 25 18.74 eV View
- 26 19.00 eV View
- 27 19.16 eV View
- 28 19.49 eV View
- 29 20.30 eV View
- 30 21.72 eV View
- 31 27.65 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 77.52 cm-1 View
- 2 129.20 cm-1 View
- 3 173.08 cm-1 View
- 4 283.23 cm-1 View
- 5 429.44 cm-1 View
- 6 566.86 cm-1 View
- 7 587.28 cm-1 View
- 8 901.01 cm-1 View
- 9 988.94 cm-1 View
- 10 1005.20 cm-1 View
- 11 1015.72 cm-1 View
- 12 1104.93 cm-1 View
- 13 1148.08 cm-1 View
- 14 1336.27 cm-1 View
- 15 1349.05 cm-1 View
- 16 1364.27 cm-1 View
- 17 1367.83 cm-1 View
- 18 1382.03 cm-1 View
- 19 1388.00 cm-1 View
- 20 1406.99 cm-1 View
- 21 1977.26 cm-1 View
- 22 3057.33 cm-1 View
- 23 3083.70 cm-1 View
- 24 3088.26 cm-1 View
- 25 3090.81 cm-1 View
- 26 3141.15 cm-1 View
- 27 3176.70 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -7.80 | kJ mol-1 |
| Polar Solvation Energy | -17.32 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.53 | kJ mol-1 |
| Surface Area | 89.77 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.29 | Debye |