Ethyl methyl carbonate
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 | 330.43 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 340.35 | 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 | 93.19 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 126.44 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.67 | J mol-1 K-1 |
| Rotational | 115.29 | J mol-1 K-1 |
| Vibrational | 97.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 379.65 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -581.19 | kJ mol-1 |
Molecular Orbitals
- 1 -552.72 eV View
- 2 -552.60 eV View
- 3 -550.62 eV View
- 4 -305.29 eV View
- 5 -302.49 eV View
- 6 -302.37 eV View
- 7 -300.74 eV View
- 8 -38.69 eV View
- 9 -35.76 eV View
- 10 -34.96 eV View
- 11 -27.08 eV View
- 12 -25.02 eV View
- 13 -22.50 eV View
- 14 -19.30 eV View
- 15 -18.16 eV View
- 16 -17.14 eV View
- 17 -16.49 eV View
- 18 -15.71 eV View
- 19 -15.51 eV View
- 20 -14.61 eV View
- 21 -14.23 eV View
- 22 -13.56 eV View
- 23 -12.96 eV View
- 24 -12.38 eV View
- 25 -11.13 eV View
- 26 -10.06 eV View
- 27 -9.35 eV View
- 28 -9.00 eV View
- 29 8.94 eV View
- 30 13.66 eV View
- 31 15.83 eV View
- 32 16.51 eV View
- 33 17.61 eV View
- 34 18.62 eV View
- 35 18.68 eV View
- 36 18.75 eV View
- 37 19.10 eV View
- 38 19.40 eV View
- 39 19.99 eV View
- 40 20.17 eV View
- 41 20.23 eV View
- 42 21.21 eV View
- 43 28.72 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 60.21 cm-1 View
- 2 79.91 cm-1 View
- 3 118.84 cm-1 View
- 4 155.40 cm-1 View
- 5 161.40 cm-1 View
- 6 221.36 cm-1 View
- 7 322.25 cm-1 View
- 8 394.53 cm-1 View
- 9 526.28 cm-1 View
- 10 576.57 cm-1 View
- 11 623.23 cm-1 View
- 12 839.68 cm-1 View
- 13 925.86 cm-1 View
- 14 978.66 cm-1 View
- 15 1007.84 cm-1 View
- 16 1084.45 cm-1 View
- 17 1104.91 cm-1 View
- 18 1115.54 cm-1 View
- 19 1119.50 cm-1 View
- 20 1129.14 cm-1 View
- 21 1212.41 cm-1 View
- 22 1307.32 cm-1 View
- 23 1344.72 cm-1 View
- 24 1353.19 cm-1 View
- 25 1358.31 cm-1 View
- 26 1366.90 cm-1 View
- 27 1398.94 cm-1 View
- 28 1403.45 cm-1 View
- 29 1408.70 cm-1 View
- 30 1421.63 cm-1 View
- 31 1977.09 cm-1 View
- 32 2959.44 cm-1 View
- 33 3027.84 cm-1 View
- 34 3059.42 cm-1 View
- 35 3086.59 cm-1 View
- 36 3089.81 cm-1 View
- 37 3090.17 cm-1 View
- 38 3140.99 cm-1 View
- 39 3184.73 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -2.80 | kJ mol-1 |
| Polar Solvation Energy | -19.20 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.39 | kJ mol-1 |
| Surface Area | 110.09 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.96 | Debye |