Methyl hexanoate
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 | 548.11 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 558.03 | 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 | 137.09 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 170.34 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.46 | J mol-1 K-1 |
| Rotational | 124.38 | J mol-1 K-1 |
| Vibrational | 143.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 437.78 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -477.16 | kJ mol-1 |
Molecular Orbitals
- 1 -552.00 eV View
- 2 -550.80 eV View
- 3 -303.71 eV View
- 4 -302.12 eV View
- 5 -301.03 eV View
- 6 -300.77 eV View
- 7 -300.53 eV View
- 8 -300.53 eV View
- 9 -300.29 eV View
- 10 -37.42 eV View
- 11 -34.53 eV View
- 12 -28.82 eV View
- 13 -27.08 eV View
- 14 -25.21 eV View
- 15 -24.20 eV View
- 16 -22.02 eV View
- 17 -20.37 eV View
- 18 -18.96 eV View
- 19 -17.25 eV View
- 20 -16.88 eV View
- 21 -16.48 eV View
- 22 -15.77 eV View
- 23 -15.50 eV View
- 24 -14.95 eV View
- 25 -14.32 eV View
- 26 -14.16 eV View
- 27 -13.70 eV View
- 28 -13.42 eV View
- 29 -12.69 eV View
- 30 -12.29 eV View
- 31 -11.86 eV View
- 32 -11.57 eV View
- 33 -11.14 eV View
- 34 -10.91 eV View
- 35 -8.94 eV View
- 36 -8.88 eV View
- 37 8.52 eV View
- 38 14.43 eV View
- 39 15.49 eV View
- 40 15.81 eV View
- 41 16.46 eV View
- 42 16.97 eV View
- 43 17.57 eV View
- 44 17.93 eV View
- 45 18.57 eV View
- 46 18.84 eV View
- 47 18.92 eV View
- 48 19.30 eV View
- 49 19.39 eV View
- 50 19.79 eV View
- 51 20.36 eV View
- 52 20.68 eV View
- 53 21.17 eV View
- 54 21.45 eV View
- 55 21.84 eV View
- 56 22.07 eV View
- 57 22.32 eV View
- 58 23.75 eV View
- 59 27.79 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 35.84 cm-1 View
- 2 50.37 cm-1 View
- 3 70.83 cm-1 View
- 4 105.57 cm-1 View
- 5 148.60 cm-1 View
- 6 181.98 cm-1 View
- 7 219.02 cm-1 View
- 8 257.28 cm-1 View
- 9 302.95 cm-1 View
- 10 321.35 cm-1 View
- 11 386.59 cm-1 View
- 12 426.06 cm-1 View
- 13 478.98 cm-1 View
- 14 609.88 cm-1 View
- 15 690.07 cm-1 View
- 16 796.81 cm-1 View
- 17 828.87 cm-1 View
- 18 859.08 cm-1 View
- 19 927.64 cm-1 View
- 20 954.93 cm-1 View
- 21 984.79 cm-1 View
- 22 1013.27 cm-1 View
- 23 1021.20 cm-1 View
- 24 1041.47 cm-1 View
- 25 1069.44 cm-1 View
- 26 1104.93 cm-1 View
- 27 1118.37 cm-1 View
- 28 1132.33 cm-1 View
- 29 1138.39 cm-1 View
- 30 1153.40 cm-1 View
- 31 1157.97 cm-1 View
- 32 1164.95 cm-1 View
- 33 1174.35 cm-1 View
- 34 1250.50 cm-1 View
- 35 1301.97 cm-1 View
- 36 1337.38 cm-1 View
- 37 1348.67 cm-1 View
- 38 1359.37 cm-1 View
- 39 1365.63 cm-1 View
- 40 1369.51 cm-1 View
- 41 1387.51 cm-1 View
- 42 1394.13 cm-1 View
- 43 1402.64 cm-1 View
- 44 1407.11 cm-1 View
- 45 1410.32 cm-1 View
- 46 1412.32 cm-1 View
- 47 1420.39 cm-1 View
- 48 1471.32 cm-1 View
- 49 1972.86 cm-1 View
- 50 2942.34 cm-1 View
- 51 2948.90 cm-1 View
- 52 2950.90 cm-1 View
- 53 2956.19 cm-1 View
- 54 3020.47 cm-1 View
- 55 3028.25 cm-1 View
- 56 3031.67 cm-1 View
- 57 3033.39 cm-1 View
- 58 3051.33 cm-1 View
- 59 3074.25 cm-1 View
- 60 3082.89 cm-1 View
- 61 3084.65 cm-1 View
- 62 3133.27 cm-1 View
- 63 3179.35 cm-1 View