(4r)-4-methyl-1,3-dioxolan-2-one
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 | 271.73 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 281.65 | 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 | 72.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 105.74 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.43 | J mol-1 K-1 |
| Rotational | 113.17 | J mol-1 K-1 |
| Vibrational | 57.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 336.88 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -550.55 | kJ mol-1 |
Molecular Orbitals
- 1 -553.09 eV View
- 2 -553.01 eV View
- 3 -551.18 eV View
- 4 -305.42 eV View
- 5 -303.19 eV View
- 6 -302.96 eV View
- 7 -301.21 eV View
- 8 -39.27 eV View
- 9 -35.72 eV View
- 10 -35.56 eV View
- 11 -28.09 eV View
- 12 -24.98 eV View
- 13 -22.03 eV View
- 14 -20.26 eV View
- 15 -18.41 eV View
- 16 -17.13 eV View
- 17 -16.67 eV View
- 18 -15.37 eV View
- 19 -15.13 eV View
- 20 -14.69 eV View
- 21 -14.21 eV View
- 22 -13.62 eV View
- 23 -12.23 eV View
- 24 -12.06 eV View
- 25 -10.39 eV View
- 26 -9.59 eV View
- 27 -9.12 eV View
- 28 8.89 eV View
- 29 12.82 eV View
- 30 14.33 eV View
- 31 15.33 eV View
- 32 16.08 eV View
- 33 16.95 eV View
- 34 17.96 eV View
- 35 18.25 eV View
- 36 19.36 eV View
- 37 19.83 eV View
- 38 20.06 eV View
- 39 20.87 eV View
- 40 22.44 eV View
- 41 27.08 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 100.75 cm-1 View
- 2 154.41 cm-1 View
- 3 168.44 cm-1 View
- 4 315.66 cm-1 View
- 5 403.80 cm-1 View
- 6 461.16 cm-1 View
- 7 612.55 cm-1 View
- 8 633.73 cm-1 View
- 9 721.20 cm-1 View
- 10 915.19 cm-1 View
- 11 924.99 cm-1 View
- 12 946.78 cm-1 View
- 13 976.38 cm-1 View
- 14 984.60 cm-1 View
- 15 1014.74 cm-1 View
- 16 1082.12 cm-1 View
- 17 1103.34 cm-1 View
- 18 1137.82 cm-1 View
- 19 1245.33 cm-1 View
- 20 1259.11 cm-1 View
- 21 1317.64 cm-1 View
- 22 1376.86 cm-1 View
- 23 1393.76 cm-1 View
- 24 1400.41 cm-1 View
- 25 1406.71 cm-1 View
- 26 1410.49 cm-1 View
- 27 2037.20 cm-1 View
- 28 2904.86 cm-1 View
- 29 2986.59 cm-1 View
- 30 3031.13 cm-1 View
- 31 3084.78 cm-1 View
- 32 3089.47 cm-1 View
- 33 3181.49 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -13.48 | kJ mol-1 |
| Polar Solvation Energy | -26.56 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.08 | kJ mol-1 |
| Surface Area | 100.99 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.96 | Debye |