1-ethoxypropane
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 | 438.51 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 448.42 | 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 | 92.96 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 126.21 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.60 | J mol-1 K-1 |
| Rotational | 112.94 | J mol-1 K-1 |
| Vibrational | 97.76 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 375.29 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -262.28 | kJ mol-1 |
Molecular Orbitals
- 1 -550.95 eV View
- 2 -301.75 eV View
- 3 -301.65 eV View
- 4 -300.55 eV View
- 5 -300.37 eV View
- 6 -300.31 eV View
- 7 -35.25 eV View
- 8 -27.71 eV View
- 9 -26.23 eV View
- 10 -23.48 eV View
- 11 -21.40 eV View
- 12 -20.83 eV View
- 13 -17.15 eV View
- 14 -16.23 eV View
- 15 -15.93 eV View
- 16 -15.25 eV View
- 17 -14.25 eV View
- 18 -13.84 eV View
- 19 -13.60 eV View
- 20 -12.72 eV View
- 21 -12.59 eV View
- 22 -11.84 eV View
- 23 -11.41 eV View
- 24 -10.25 eV View
- 25 -8.82 eV View
- 26 14.54 eV View
- 27 16.30 eV View
- 28 17.08 eV View
- 29 17.26 eV View
- 30 17.60 eV View
- 31 18.75 eV View
- 32 18.85 eV View
- 33 19.12 eV View
- 34 19.27 eV View
- 35 20.22 eV View
- 36 20.36 eV View
- 37 20.65 eV View
- 38 20.84 eV View
- 39 21.10 eV View
- 40 21.16 eV View
- 41 21.84 eV View
- 42 22.25 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 54.59 cm-1 View
- 2 70.88 cm-1 View
- 3 106.62 cm-1 View
- 4 161.80 cm-1 View
- 5 173.45 cm-1 View
- 6 195.67 cm-1 View
- 7 335.49 cm-1 View
- 8 451.25 cm-1 View
- 9 535.70 cm-1 View
- 10 786.18 cm-1 View
- 11 840.23 cm-1 View
- 12 910.60 cm-1 View
- 13 953.81 cm-1 View
- 14 962.56 cm-1 View
- 15 1037.27 cm-1 View
- 16 1058.36 cm-1 View
- 17 1097.61 cm-1 View
- 18 1126.75 cm-1 View
- 19 1126.95 cm-1 View
- 20 1137.51 cm-1 View
- 21 1140.03 cm-1 View
- 22 1153.19 cm-1 View
- 23 1159.38 cm-1 View
- 24 1182.88 cm-1 View
- 25 1275.62 cm-1 View
- 26 1333.77 cm-1 View
- 27 1367.91 cm-1 View
- 28 1373.76 cm-1 View
- 29 1374.64 cm-1 View
- 30 1402.12 cm-1 View
- 31 1404.88 cm-1 View
- 32 1409.37 cm-1 View
- 33 1410.84 cm-1 View
- 34 1411.33 cm-1 View
- 35 1422.69 cm-1 View
- 36 1433.70 cm-1 View
- 37 2908.31 cm-1 View
- 38 2914.81 cm-1 View
- 39 2962.69 cm-1 View
- 40 2969.62 cm-1 View
- 41 2974.84 cm-1 View
- 42 3043.60 cm-1 View
- 43 3078.34 cm-1 View
- 44 3084.58 cm-1 View
- 45 3086.50 cm-1 View
- 46 3089.87 cm-1 View
- 47 3181.44 cm-1 View
- 48 3185.30 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 15.53 | kJ mol-1 |
| Polar Solvation Energy | -7.73 | kJ mol-1 |
| Nonpolar Solvation Energy | 23.28 | kJ mol-1 |
| Surface Area | 105.09 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.42 | Debye |