2',7'-dichloro-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-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 | 79.27 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 89.18 | 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 | 15.19 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 48.45 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.37 | J mol-1 K-1 |
| Rotational | 96.66 | J mol-1 K-1 |
| Vibrational | 6.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 264.71 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -240.54 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.49 eV View
- 2 -706.94 eV View
- 3 -304.56 eV View
- 4 -280.76 eV View
- 5 -211.17 eV View
- 6 -211.02 eV View
- 7 -211.02 eV View
- 8 -41.93 eV View
- 9 -28.62 eV View
- 10 -23.29 eV View
- 11 -18.18 eV View
- 12 -16.70 eV View
- 13 -15.49 eV View
- 14 -12.69 eV View
- 15 -11.58 eV View
- 16 -10.37 eV View
- 17 -10.10 eV View
- 18 9.90 eV View
- 19 15.72 eV View
- 20 17.50 eV View
- 21 17.98 eV View