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.) | 249.85 | 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 | 58.60 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 91.86 | 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 | 56.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 324.74 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -393.27 | kJ mol-1 |
Molecular Orbitals
- 1 -552.08 eV View
- 2 -550.96 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 -15.19 eV View
- 15 -14.33 eV View
- 16 -13.81 eV View
- 17 -12.35 eV View
- 18 -11.33 eV View
- 19 -9.16 eV View
- 20 -8.98 eV View
- 21 8.42 eV View
- 22 14.72 eV View
- 23 17.46 eV View
- 24 17.70 eV View
- 25 18.74 eV View
- 26 19.00 eV View
- 27 19.15 eV View
- 28 19.50 eV View
- 29 20.29 eV View
- 30 21.74 eV View
- 31 27.65 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 71.66 cm-1 View
- 2 130.50 cm-1 View
- 3 174.98 cm-1 View
- 4 283.51 cm-1 View
- 5 429.73 cm-1 View
- 6 565.84 cm-1 View
- 7 588.18 cm-1 View
- 8 899.98 cm-1 View
- 9 989.28 cm-1 View
- 10 1006.98 cm-1 View
- 11 1016.10 cm-1 View
- 12 1105.12 cm-1 View
- 13 1147.63 cm-1 View
- 14 1335.58 cm-1 View
- 15 1349.12 cm-1 View
- 16 1364.27 cm-1 View
- 17 1367.66 cm-1 View
- 18 1382.25 cm-1 View
- 19 1387.10 cm-1 View
- 20 1408.64 cm-1 View
- 21 1977.23 cm-1 View
- 22 3057.08 cm-1 View
- 23 3083.80 cm-1 View
- 24 3087.92 cm-1 View
- 25 3090.77 cm-1 View
- 26 3140.76 cm-1 View
- 27 3176.95 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -4.03 | kJ mol-1 |
| Polar Solvation Energy | -17.26 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.17 | kJ mol-1 |
| Surface Area | 84.73 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.29 | Debye |