1-propoxypropane
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 | 516.18 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 526.09 | 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 | 110.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 144.07 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.44 | J mol-1 K-1 |
| Rotational | 118.02 | J mol-1 K-1 |
| Vibrational | 109.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 393.98 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -292.75 | kJ mol-1 |
Molecular Orbitals
- 1 -550.87 eV View
- 2 -301.63 eV View
- 3 -301.61 eV View
- 4 -300.59 eV View
- 5 -300.55 eV View
- 6 -300.36 eV View
- 7 -300.27 eV View
- 8 -35.28 eV View
- 9 -27.82 eV View
- 10 -27.26 eV View
- 11 -24.40 eV View
- 12 -23.09 eV View
- 13 -21.38 eV View
- 14 -19.92 eV View
- 15 -17.23 eV View
- 16 -16.54 eV View
- 17 -15.77 eV View
- 18 -15.61 eV View
- 19 -14.82 eV View
- 20 -14.48 eV View
- 21 -13.84 eV View
- 22 -12.96 eV View
- 23 -12.77 eV View
- 24 -12.58 eV View
- 25 -12.26 eV View
- 26 -11.84 eV View
- 27 -11.81 eV View
- 28 -9.82 eV View
- 29 -8.54 eV View
- 30 14.84 eV View
- 31 15.52 eV View
- 32 16.08 eV View
- 33 16.84 eV View
- 34 17.42 eV View
- 35 17.81 eV View
- 36 17.99 eV View
- 37 18.47 eV View
- 38 19.02 eV View
- 39 19.81 eV View
- 40 20.09 eV View
- 41 20.34 eV View
- 42 20.49 eV View
- 43 20.66 eV View
- 44 20.87 eV View
- 45 21.18 eV View
- 46 21.28 eV View
- 47 21.81 eV View
- 48 22.48 eV View
- 49 23.38 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 56.83 cm-1 View
- 2 73.26 cm-1 View
- 3 74.09 cm-1 View
- 4 163.46 cm-1 View
- 5 186.80 cm-1 View
- 6 189.99 cm-1 View
- 7 320.66 cm-1 View
- 8 337.06 cm-1 View
- 9 417.96 cm-1 View
- 10 504.90 cm-1 View
- 11 549.54 cm-1 View
- 12 791.14 cm-1 View
- 13 828.32 cm-1 View
- 14 902.62 cm-1 View
- 15 928.17 cm-1 View
- 16 939.41 cm-1 View
- 17 946.19 cm-1 View
- 18 1002.77 cm-1 View
- 19 1049.78 cm-1 View
- 20 1066.24 cm-1 View
- 21 1113.69 cm-1 View
- 22 1123.11 cm-1 View
- 23 1128.24 cm-1 View
- 24 1135.50 cm-1 View
- 25 1140.09 cm-1 View
- 26 1148.81 cm-1 View
- 27 1155.37 cm-1 View
- 28 1171.04 cm-1 View
- 29 1182.58 cm-1 View
- 30 1272.34 cm-1 View
- 31 1305.42 cm-1 View
- 32 1346.54 cm-1 View
- 33 1358.81 cm-1 View
- 34 1368.13 cm-1 View
- 35 1378.11 cm-1 View
- 36 1400.71 cm-1 View
- 37 1404.72 cm-1 View
- 38 1406.27 cm-1 View
- 39 1408.97 cm-1 View
- 40 1411.79 cm-1 View
- 41 1412.04 cm-1 View
- 42 1426.69 cm-1 View
- 43 1431.57 cm-1 View
- 44 2892.34 cm-1 View
- 45 2932.45 cm-1 View
- 46 2947.07 cm-1 View
- 47 2959.55 cm-1 View
- 48 3016.68 cm-1 View
- 49 3022.20 cm-1 View
- 50 3033.07 cm-1 View
- 51 3041.40 cm-1 View
- 52 3076.41 cm-1 View
- 53 3079.36 cm-1 View
- 54 3083.36 cm-1 View
- 55 3087.30 cm-1 View
- 56 3178.01 cm-1 View
- 57 3184.31 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 18.11 | kJ mol-1 |
| Polar Solvation Energy | -7.01 | kJ mol-1 |
| Nonpolar Solvation Energy | 25.08 | kJ mol-1 |
| Surface Area | 108.37 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.61 | Debye |