2-oxopyran-3-carboxylic 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 | 265.65 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 275.56 | 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 | 101.89 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 135.15 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.38 | J mol-1 K-1 |
| Rotational | 122.73 | J mol-1 K-1 |
| Vibrational | 88.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 381.98 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -575.58 | kJ mol-1 |
Molecular Orbitals
- 1 -554.16 eV View
- 2 -552.40 eV View
- 3 -551.33 eV View
- 4 -551.16 eV View
- 5 -304.47 eV View
- 6 -304.40 eV View
- 7 -303.16 eV View
- 8 -302.07 eV View
- 9 -301.27 eV View
- 10 -300.72 eV View
- 11 -38.64 eV View
- 12 -37.89 eV View
- 13 -35.45 eV View
- 14 -34.73 eV View
- 15 -29.69 eV View
- 16 -27.11 eV View
- 17 -23.68 eV View
- 18 -22.38 eV View
- 19 -20.87 eV View
- 20 -18.33 eV View
- 21 -18.08 eV View
- 22 -17.35 eV View
- 23 -16.27 eV View
- 24 -15.87 eV View
- 25 -15.85 eV View
- 26 -14.88 eV View
- 27 -14.48 eV View
- 28 -13.90 eV View
- 29 -12.66 eV View
- 30 -12.27 eV View
- 31 -11.78 eV View
- 32 -11.07 eV View
- 33 -9.80 eV View
- 34 -9.57 eV View
- 35 -9.20 eV View
- 36 -6.88 eV View
- 37 4.88 eV View
- 38 7.76 eV View
- 39 8.04 eV View
- 40 11.50 eV View
- 41 13.99 eV View
- 42 15.21 eV View
- 43 15.58 eV View
- 44 16.84 eV View
- 45 17.58 eV View
- 46 18.40 eV View
- 47 20.24 eV View
- 48 20.64 eV View
- 49 21.88 eV View
- 50 23.19 eV View
- 51 25.37 eV View
- 52 26.60 eV View
- 53 28.28 eV View
- 54 29.73 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -30.05 | kJ mol-1 |
| Polar Solvation Energy | -39.43 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.36 | kJ mol-1 |
| Surface Area | 130.79 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 6.09 | Debye |