Methyl propanoate
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 | 316.67 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 326.59 | 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 | 79.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 112.31 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.59 | J mol-1 K-1 |
| Rotational | 111.28 | J mol-1 K-1 |
| Vibrational | 81.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 357.55 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -411.10 | kJ mol-1 |
Molecular Orbitals
- 1 -551.97 eV View
- 2 -550.92 eV View
- 3 -303.78 eV View
- 4 -302.12 eV View
- 5 -301.26 eV View
- 6 -300.64 eV View
- 7 -37.45 eV View
- 8 -34.56 eV View
- 9 -27.75 eV View
- 10 -24.93 eV View
- 11 -22.67 eV View
- 12 -18.75 eV View
- 13 -17.41 eV View
- 14 -16.82 eV View
- 15 -15.87 eV View
- 16 -15.46 eV View
- 17 -14.72 eV View
- 18 -13.38 eV View
- 19 -13.33 eV View
- 20 -13.12 eV View
- 21 -11.97 eV View
- 22 -11.20 eV View
- 23 -9.06 eV View
- 24 -8.94 eV View
- 25 8.51 eV View
- 26 14.56 eV View
- 27 16.88 eV View
- 28 17.18 eV View
- 29 17.71 eV View
- 30 18.26 eV View
- 31 18.96 eV View
- 32 19.14 eV View
- 33 19.77 eV View
- 34 20.53 eV View
- 35 20.82 eV View
- 36 20.91 eV View
- 37 21.78 eV View
- 38 27.88 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 31.90 cm-1 View
- 2 122.03 cm-1 View
- 3 171.09 cm-1 View
- 4 181.88 cm-1 View
- 5 214.30 cm-1 View
- 6 338.73 cm-1 View
- 7 449.85 cm-1 View
- 8 551.27 cm-1 View
- 9 597.15 cm-1 View
- 10 838.45 cm-1 View
- 11 874.62 cm-1 View
- 12 1011.80 cm-1 View
- 13 1037.56 cm-1 View
- 14 1044.57 cm-1 View
- 15 1102.42 cm-1 View
- 16 1115.14 cm-1 View
- 17 1132.05 cm-1 View
- 18 1145.33 cm-1 View
- 19 1259.69 cm-1 View
- 20 1349.55 cm-1 View
- 21 1362.87 cm-1 View
- 22 1365.11 cm-1 View
- 23 1368.02 cm-1 View
- 24 1377.87 cm-1 View
- 25 1399.35 cm-1 View
- 26 1409.05 cm-1 View
- 27 1431.03 cm-1 View
- 28 1975.64 cm-1 View
- 29 2953.93 cm-1 View
- 30 3031.83 cm-1 View
- 31 3057.56 cm-1 View
- 32 3084.72 cm-1 View
- 33 3086.80 cm-1 View
- 34 3088.38 cm-1 View
- 35 3141.77 cm-1 View
- 36 3183.72 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -1.94 | kJ mol-1 |
| Polar Solvation Energy | -16.36 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.42 | kJ mol-1 |
| Surface Area | 102.98 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.26 | Debye |