(2r)-2,3-dimethylbutanoic 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 | 474.49 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 484.41 | 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 | 121.24 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 154.50 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.04 | J mol-1 K-1 |
| Rotational | 119.15 | J mol-1 K-1 |
| Vibrational | 105.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 392.88 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -492.49 | kJ mol-1 |
Molecular Orbitals
- 1 -552.19 eV View
- 2 -550.76 eV View
- 3 -303.61 eV View
- 4 -301.47 eV View
- 5 -301.30 eV View
- 6 -300.65 eV View
- 7 -300.58 eV View
- 8 -300.48 eV View
- 9 -37.52 eV View
- 10 -34.39 eV View
- 11 -29.55 eV View
- 12 -26.54 eV View
- 13 -24.65 eV View
- 14 -23.58 eV View
- 15 -20.67 eV View
- 16 -19.36 eV View
- 17 -17.89 eV View
- 18 -17.21 eV View
- 19 -16.02 eV View
- 20 -15.04 eV View
- 21 -14.85 eV View
- 22 -14.38 eV View
- 23 -14.16 eV View
- 24 -13.88 eV View
- 25 -13.46 eV View
- 26 -12.97 eV View
- 27 -12.45 eV View
- 28 -11.90 eV View
- 29 -11.72 eV View
- 30 -11.66 eV View
- 31 -9.10 eV View
- 32 -8.88 eV View
- 33 8.64 eV View
- 34 14.90 eV View
- 35 15.06 eV View
- 36 15.92 eV View
- 37 16.27 eV View
- 38 17.16 eV View
- 39 17.19 eV View
- 40 18.16 eV View
- 41 18.48 eV View
- 42 18.89 eV View
- 43 19.49 eV View
- 44 20.01 eV View
- 45 20.40 eV View
- 46 20.80 eV View
- 47 20.97 eV View
- 48 21.26 eV View
- 49 21.81 eV View
- 50 22.61 eV View
- 51 23.04 eV View
- 52 28.05 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 49.56 cm-1 View
- 2 102.87 cm-1 View
- 3 183.25 cm-1 View
- 4 198.99 cm-1 View
- 5 216.52 cm-1 View
- 6 247.92 cm-1 View
- 7 301.22 cm-1 View
- 8 344.43 cm-1 View
- 9 362.66 cm-1 View
- 10 399.68 cm-1 View
- 11 438.20 cm-1 View
- 12 459.82 cm-1 View
- 13 578.67 cm-1 View
- 14 588.02 cm-1 View
- 15 698.80 cm-1 View
- 16 853.34 cm-1 View
- 17 914.66 cm-1 View
- 18 961.46 cm-1 View
- 19 967.46 cm-1 View
- 20 992.35 cm-1 View
- 21 1032.74 cm-1 View
- 22 1061.51 cm-1 View
- 23 1072.11 cm-1 View
- 24 1129.07 cm-1 View
- 25 1143.32 cm-1 View
- 26 1165.28 cm-1 View
- 27 1208.78 cm-1 View
- 28 1279.40 cm-1 View
- 29 1301.68 cm-1 View
- 30 1308.06 cm-1 View
- 31 1326.40 cm-1 View
- 32 1385.80 cm-1 View
- 33 1393.55 cm-1 View
- 34 1398.15 cm-1 View
- 35 1402.50 cm-1 View
- 36 1404.26 cm-1 View
- 37 1404.60 cm-1 View
- 38 1410.14 cm-1 View
- 39 1413.80 cm-1 View
- 40 1414.95 cm-1 View
- 41 1430.96 cm-1 View
- 42 1989.32 cm-1 View
- 43 2858.13 cm-1 View
- 44 2869.23 cm-1 View
- 45 3020.56 cm-1 View
- 46 3038.46 cm-1 View
- 47 3050.20 cm-1 View
- 48 3077.32 cm-1 View
- 49 3085.61 cm-1 View
- 50 3086.47 cm-1 View
- 51 3151.90 cm-1 View
- 52 3166.77 cm-1 View
- 53 3167.67 cm-1 View
- 54 3884.28 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.11 | kJ mol-1 |
| Polar Solvation Energy | -29.11 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.02 | kJ mol-1 |
| Surface Area | 110.64 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.22 | Debye |