Methoxycarbonyl 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 | 297.98 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 307.90 | 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 | 115.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 148.70 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.83 | J mol-1 K-1 |
| Rotational | 121.62 | J mol-1 K-1 |
| Vibrational | 136.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 428.18 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -887.61 | kJ mol-1 |
Molecular Orbitals
- 1 -553.66 eV View
- 2 -553.25 eV View
- 3 -553.25 eV View
- 4 -551.72 eV View
- 5 -551.71 eV View
- 6 -306.04 eV View
- 7 -306.04 eV View
- 8 -302.64 eV View
- 9 -302.64 eV View
- 10 -39.90 eV View
- 11 -38.29 eV View
- 12 -36.05 eV View
- 13 -35.72 eV View
- 14 -35.63 eV View
- 15 -26.11 eV View
- 16 -25.07 eV View
- 17 -21.84 eV View
- 18 -19.14 eV View
- 19 -18.44 eV View
- 20 -17.63 eV View
- 21 -17.61 eV View
- 22 -16.87 eV View
- 23 -16.21 eV View
- 24 -15.55 eV View
- 25 -15.30 eV View
- 26 -14.65 eV View
- 27 -14.50 eV View
- 28 -13.58 eV View
- 29 -12.31 eV View
- 30 -11.88 eV View
- 31 -10.91 eV View
- 32 -10.13 eV View
- 33 -9.91 eV View
- 34 -9.84 eV View
- 35 -9.50 eV View
- 36 7.67 eV View
- 37 8.92 eV View
- 38 13.13 eV View
- 39 15.28 eV View
- 40 16.75 eV View
- 41 17.33 eV View
- 42 17.81 eV View
- 43 18.43 eV View
- 44 18.49 eV View
- 45 18.60 eV View
- 46 18.88 eV View
- 47 19.01 eV View
- 48 19.68 eV View
- 49 19.68 eV View
- 50 26.62 eV View
- 51 29.45 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 40.29 cm-1 View
- 2 46.29 cm-1 View
- 3 95.95 cm-1 View
- 4 115.50 cm-1 View
- 5 138.13 cm-1 View
- 6 154.89 cm-1 View
- 7 157.59 cm-1 View
- 8 271.29 cm-1 View
- 9 274.07 cm-1 View
- 10 368.54 cm-1 View
- 11 399.56 cm-1 View
- 12 545.69 cm-1 View
- 13 605.47 cm-1 View
- 14 611.53 cm-1 View
- 15 685.36 cm-1 View
- 16 946.63 cm-1 View
- 17 994.63 cm-1 View
- 18 1005.77 cm-1 View
- 19 1006.35 cm-1 View
- 20 1103.48 cm-1 View
- 21 1112.97 cm-1 View
- 22 1137.06 cm-1 View
- 23 1217.42 cm-1 View
- 24 1342.87 cm-1 View
- 25 1342.92 cm-1 View
- 26 1343.05 cm-1 View
- 27 1354.34 cm-1 View
- 28 1356.23 cm-1 View
- 29 1362.19 cm-1 View
- 30 1374.63 cm-1 View
- 31 1412.36 cm-1 View
- 32 1959.55 cm-1 View
- 33 2032.02 cm-1 View
- 34 3059.92 cm-1 View
- 35 3060.91 cm-1 View
- 36 3088.86 cm-1 View
- 37 3089.89 cm-1 View
- 38 3140.13 cm-1 View
- 39 3140.85 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.05 | kJ mol-1 |
| Polar Solvation Energy | -30.34 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.27 | kJ mol-1 |
| Surface Area | 129.08 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.66 | Debye |