Table 12. Comparison between Experimental and Predicted Values of −ΔfH°(cr, 298.15 K) Using the Regression in kJ mol–1.
| compounda | experimental | predicted | Δ |
|---|---|---|---|
| Cb | 259.9 | 259.9 | 0 |
| 7H4MCc | 540.8 | 538.5 | –2.3 |
| 6M4MCc | 488 | 490.3 | 2.3 |
| 6HCd | 466.2 | 471.4 | 5.2 |
| 7HCe | 471.1 | 473.0 | 1.9 |
| 3HCf | 459.6 | 466.5 | 6.9 |
| 4HCf | 479.9 | 468.2 | –11.7 |
| 7MCg | 428.9 | 426.6 | –2.3 |
| 7M4MCh | 488.5 | 492.0 | 3.5 |
a
Compound: coumarin (C); 7-hydroxy-4-methylcoumarin (7H4MC); 6-methoxy-4-methylcoumarin (6M4MC); 6-hydroxycoumarin (6HC); 7-hydroxycoumarin (7HC); 3-hydroxycoumarin (3HC); 4-hydroxycoumarin (4HC); and 7-methoxycoumarin (7MC).
b
Taken of ref (23).
c
Taken of ref (53).
d
Taken of ref (48).
e
Taken of ref (47).
f
Taken of ref (46).
g
Taken of ref (49).
h
Experimental value of this work.