1-butoxybutane
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 | 668.92 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 678.84 | 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 | 153.89 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 187.14 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.46 | J mol-1 K-1 |
| Rotational | 125.18 | J mol-1 K-1 |
| Vibrational | 174.04 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 468.68 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -329.48 | kJ mol-1 |
Molecular Orbitals
- 1 -550.90 eV View
- 2 -301.61 eV View
- 3 -301.60 eV View
- 4 -300.50 eV View
- 5 -300.50 eV View
- 6 -300.43 eV View
- 7 -300.43 eV View
- 8 -300.22 eV View
- 9 -300.22 eV View
- 10 -35.20 eV View
- 11 -28.30 eV View
- 12 -27.91 eV View
- 13 -25.82 eV View
- 14 -24.70 eV View
- 15 -22.27 eV View
- 16 -21.44 eV View
- 17 -20.76 eV View
- 18 -20.43 eV View
- 19 -17.29 eV View
- 20 -16.59 eV View
- 21 -15.87 eV View
- 22 -15.62 eV View
- 23 -15.57 eV View
- 24 -14.58 eV View
- 25 -14.53 eV View
- 26 -14.24 eV View
- 27 -13.61 eV View
- 28 -13.15 eV View
- 29 -12.50 eV View
- 30 -12.42 eV View
- 31 -12.01 eV View
- 32 -12.01 eV View
- 33 -11.66 eV View
- 34 -11.54 eV View
- 35 -10.70 eV View
- 36 -10.20 eV View
- 37 -8.78 eV View
- 38 14.43 eV View
- 39 15.87 eV View
- 40 15.92 eV View
- 41 16.95 eV View
- 42 17.13 eV View
- 43 17.45 eV View
- 44 17.98 eV View
- 45 18.04 eV View
- 46 18.06 eV View
- 47 18.40 eV View
- 48 19.01 eV View
- 49 19.62 eV View
- 50 19.64 eV View
- 51 20.10 eV View
- 52 20.30 eV View
- 53 20.37 eV View
- 54 20.40 eV View
- 55 20.79 eV View
- 56 21.07 eV View
- 57 21.10 eV View
- 58 21.13 eV View
- 59 21.59 eV View
- 60 21.70 eV View
- 61 22.17 eV View
- 62 22.26 eV View
- 63 22.51 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 39.68 cm-1 View
- 2 53.67 cm-1 View
- 3 77.73 cm-1 View
- 4 79.00 cm-1 View
- 5 94.23 cm-1 View
- 6 107.33 cm-1 View
- 7 117.37 cm-1 View
- 8 197.39 cm-1 View
- 9 197.53 cm-1 View
- 10 197.72 cm-1 View
- 11 282.31 cm-1 View
- 12 328.77 cm-1 View
- 13 438.76 cm-1 View
- 14 499.41 cm-1 View
- 15 584.59 cm-1 View
- 16 767.92 cm-1 View
- 17 769.95 cm-1 View
- 18 841.67 cm-1 View
- 19 845.08 cm-1 View
- 20 946.85 cm-1 View
- 21 948.48 cm-1 View
- 22 957.76 cm-1 View
- 23 962.81 cm-1 View
- 24 1041.22 cm-1 View
- 25 1062.47 cm-1 View
- 26 1082.27 cm-1 View
- 27 1105.77 cm-1 View
- 28 1120.25 cm-1 View
- 29 1126.91 cm-1 View
- 30 1127.55 cm-1 View
- 31 1133.87 cm-1 View
- 32 1139.11 cm-1 View
- 33 1148.30 cm-1 View
- 34 1149.62 cm-1 View
- 35 1152.37 cm-1 View
- 36 1154.82 cm-1 View
- 37 1165.78 cm-1 View
- 38 1165.80 cm-1 View
- 39 1179.41 cm-1 View
- 40 1238.24 cm-1 View
- 41 1240.83 cm-1 View
- 42 1334.70 cm-1 View
- 43 1335.38 cm-1 View
- 44 1367.56 cm-1 View
- 45 1373.77 cm-1 View
- 46 1383.37 cm-1 View
- 47 1386.40 cm-1 View
- 48 1401.47 cm-1 View
- 49 1408.17 cm-1 View
- 50 1408.27 cm-1 View
- 51 1408.63 cm-1 View
- 52 1411.51 cm-1 View
- 53 1411.66 cm-1 View
- 54 1418.65 cm-1 View
- 55 1422.36 cm-1 View
- 56 1433.12 cm-1 View
- 57 1435.25 cm-1 View
- 58 2906.55 cm-1 View
- 59 2911.46 cm-1 View
- 60 2948.30 cm-1 View
- 61 2948.35 cm-1 View
- 62 2962.99 cm-1 View
- 63 2963.05 cm-1 View
- 64 2967.81 cm-1 View
- 65 2970.67 cm-1 View
- 66 3032.16 cm-1 View
- 67 3032.18 cm-1 View
- 68 3039.79 cm-1 View
- 69 3039.83 cm-1 View
- 70 3078.93 cm-1 View
- 71 3078.99 cm-1 View
- 72 3084.93 cm-1 View
- 73 3084.99 cm-1 View
- 74 3181.60 cm-1 View
- 75 3181.60 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 22.44 | kJ mol-1 |
| Polar Solvation Energy | -7.72 | kJ mol-1 |
| Nonpolar Solvation Energy | 30.18 | kJ mol-1 |
| Surface Area | 148.34 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.42 | Debye |