| Physicochemical Properties |
Tetrahydrocurcumin |
Bisdemethoxycurcumin |
| Boiling Point |
787.355 K |
747.197 K |
| Melting Point |
771.57 K |
669.37 K |
| Critical Volume |
1075.5 Cm.Cm.Cm/mol |
887.5 Cm.Cm.Cm/mol |
| Critical Temperature |
969.303 K |
946.4 K |
| Critical Pressure |
20.437 Bar |
29.155 Bar |
| Crippens fragmentation method ( Crippens, 1987) |
|
2.60 |
2.81 |
|
102.09 Cm.Cm.Cm/mol |
91.30 Cm.Cm.Cm/mol |
| Heat of Formation |
-870.87 KJ/mol |
-307.77 KJ/mol |
| Gibbs Energy |
-445.58 KJ/mol |
-72.72 KJ/mol |
| Ideal gas thermal capacity |
438.08 J/mol.K |
329.49 J/mol.K |
| Henry’s Law constant |
18.2264 log |
17.0884 log |
| Connolly Accessible Area |
662.529 (Å) squared |
574.346 (Å) squared |
| Connolly Molecular Area |
360.435 (Å) squared |
301.153 (Å) squared |
| Connolly Solvent-Excluded Area |
307.909 (Å) cubed |
244.895 (Å) cubed |
| Molecular Formula |
C21H24O6 |
C19H16O4 |
| Molecular Weight |
372.41 a.m.u |
308.33 a.m.u |
| Bend Energy |
17.923 Kcal/mol |
8.163 Kcal/mol |
| Dipole-Dipole Energy |
6.239 Kcal/mol |
6.538 Kcal/mol |
| Non-1, 4 VDW Energy |
8.751 Kcal/mol |
1.065 Kcal/mol |
| Stretch Energy |
5.041 Kcal/mol |
7.567 Kcal/mol |
| Stretch-Bend- Energy |
-0.333 Kcal/mol |
-0.129 Kcal/mol |
| Torsion Energy |
-6.825 Kcal/mol |
-8.912 Kcal/mol |
| 1, 4 VDW Energy |
19.458 Kcal/mol |
9.283 Kcal/mol |
|
