Butyl acetate
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 | 470.67 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 480.58 | 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 | 119.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 152.67 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.04 | J mol-1 K-1 |
| Rotational | 121.42 | J mol-1 K-1 |
| Vibrational | 129.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 419.16 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -452.99 | kJ mol-1 |
Molecular Orbitals
- 1 -552.06 eV View
- 2 -550.78 eV View
- 3 -303.72 eV View
- 4 -302.23 eV View
- 5 -301.34 eV View
- 6 -300.76 eV View
- 7 -300.73 eV View
- 8 -300.38 eV View
- 9 -37.44 eV View
- 10 -34.43 eV View
- 11 -28.37 eV View
- 12 -26.52 eV View
- 13 -25.68 eV View
- 14 -22.55 eV View
- 15 -20.90 eV View
- 16 -19.11 eV View
- 17 -17.44 eV View
- 18 -17.17 eV View
- 19 -16.17 eV View
- 20 -15.85 eV View
- 21 -15.17 eV View
- 22 -15.07 eV View
- 23 -14.11 eV View
- 24 -13.54 eV View
- 25 -13.44 eV View
- 26 -12.45 eV View
- 27 -12.38 eV View
- 28 -11.84 eV View
- 29 -11.83 eV View
- 30 -11.19 eV View
- 31 -8.92 eV View
- 32 -8.59 eV View
- 33 8.57 eV View
- 34 14.49 eV View
- 35 15.57 eV View
- 36 16.45 eV View
- 37 16.63 eV View
- 38 17.46 eV View
- 39 17.53 eV View
- 40 17.86 eV View
- 41 18.43 eV View
- 42 18.87 eV View
- 43 19.41 eV View
- 44 19.86 eV View
- 45 20.17 eV View
- 46 20.25 eV View
- 47 20.81 eV View
- 48 20.90 eV View
- 49 21.41 eV View
- 50 21.97 eV View
- 51 23.13 eV View
- 52 28.01 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -3.42 | kJ mol-1 |
| Polar Solvation Energy | -27.65 | kJ mol-1 |
| Nonpolar Solvation Energy | 24.24 | kJ mol-1 |
| Surface Area | 118.20 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.26 | Debye |