Butanoic acid
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 | 320.33 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 330.25 | 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 | 77.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 110.54 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.59 | J mol-1 K-1 |
| Rotational | 112.68 | J mol-1 K-1 |
| Vibrational | 77.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 354.29 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -467.20 | kJ mol-1 |
Molecular Orbitals
- 1 -552.04 eV View
- 2 -550.67 eV View
- 3 -303.84 eV View
- 4 -301.23 eV View
- 5 -300.95 eV View
- 6 -300.50 eV View
- 7 -37.62 eV View
- 8 -34.31 eV View
- 9 -28.41 eV View
- 10 -25.30 eV View
- 11 -21.71 eV View
- 12 -19.78 eV View
- 13 -17.13 eV View
- 14 -16.41 eV View
- 15 -15.74 eV View
- 16 -15.30 eV View
- 17 -14.42 eV View
- 18 -13.51 eV View
- 19 -13.19 eV View
- 20 -12.29 eV View
- 21 -12.06 eV View
- 22 -11.91 eV View
- 23 -9.19 eV View
- 24 -9.06 eV View
- 25 8.50 eV View
- 26 15.14 eV View
- 27 15.92 eV View
- 28 17.35 eV View
- 29 17.50 eV View
- 30 18.17 eV View
- 31 19.01 eV View
- 32 19.88 eV View
- 33 20.31 eV View
- 34 20.52 eV View
- 35 20.86 eV View
- 36 21.18 eV View
- 37 22.49 eV View
- 38 27.49 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 36.83 cm-1 View
- 2 77.83 cm-1 View
- 3 196.23 cm-1 View
- 4 206.84 cm-1 View
- 5 348.90 cm-1 View
- 6 404.28 cm-1 View
- 7 492.50 cm-1 View
- 8 536.41 cm-1 View
- 9 650.86 cm-1 View
- 10 790.20 cm-1 View
- 11 906.46 cm-1 View
- 12 931.54 cm-1 View
- 13 992.60 cm-1 View
- 14 1047.48 cm-1 View
- 15 1122.97 cm-1 View
- 16 1131.51 cm-1 View
- 17 1136.06 cm-1 View
- 18 1145.78 cm-1 View
- 19 1231.93 cm-1 View
- 20 1244.56 cm-1 View
- 21 1350.51 cm-1 View
- 22 1378.77 cm-1 View
- 23 1402.39 cm-1 View
- 24 1408.42 cm-1 View
- 25 1409.18 cm-1 View
- 26 1426.10 cm-1 View
- 27 1457.12 cm-1 View
- 28 1978.13 cm-1 View
- 29 2949.61 cm-1 View
- 30 2963.80 cm-1 View
- 31 3028.29 cm-1 View
- 32 3038.02 cm-1 View
- 33 3079.71 cm-1 View
- 34 3085.77 cm-1 View
- 35 3182.27 cm-1 View
- 36 3851.42 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -3.19 | kJ mol-1 |
| Polar Solvation Energy | -18.83 | kJ mol-1 |
| Nonpolar Solvation Energy | 15.63 | kJ mol-1 |
| Surface Area | 101.37 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.23 | Debye |