Butanedioic 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 | 290.37 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 300.29 | 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 | 97.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 130.71 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.25 | J mol-1 K-1 |
| Rotational | 120.47 | J mol-1 K-1 |
| Vibrational | 114.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 403.24 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -808.47 | kJ mol-1 |
Molecular Orbitals
- 1 -552.29 eV View
- 2 -552.26 eV View
- 3 -551.05 eV View
- 4 -551.02 eV View
- 5 -304.16 eV View
- 6 -304.13 eV View
- 7 -301.79 eV View
- 8 -301.68 eV View
- 9 -37.87 eV View
- 10 -37.85 eV View
- 11 -34.59 eV View
- 12 -34.58 eV View
- 13 -28.57 eV View
- 14 -24.69 eV View
- 15 -20.42 eV View
- 16 -19.87 eV View
- 17 -17.72 eV View
- 18 -16.98 eV View
- 19 -16.09 eV View
- 20 -15.91 eV View
- 21 -15.72 eV View
- 22 -15.09 eV View
- 23 -14.28 eV View
- 24 -13.23 eV View
- 25 -12.83 eV View
- 26 -12.54 eV View
- 27 -12.15 eV View
- 28 -9.56 eV View
- 29 -9.49 eV View
- 30 -9.43 eV View
- 31 -9.23 eV View
- 32 8.19 eV View
- 33 8.25 eV View
- 34 14.66 eV View
- 35 15.36 eV View
- 36 16.30 eV View
- 37 17.00 eV View
- 38 17.81 eV View
- 39 18.94 eV View
- 40 19.22 eV View
- 41 19.50 eV View
- 42 19.75 eV View
- 43 21.49 eV View
- 44 21.97 eV View
- 45 26.94 eV View
- 46 27.45 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -19.17 | kJ mol-1 |
| Polar Solvation Energy | -34.87 | kJ mol-1 |
| Nonpolar Solvation Energy | 15.72 | kJ mol-1 |
| Surface Area | 117.91 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.15 | Debye |