6 Managing Thermal History to Stabilize/Destabilize …
99
Table 6.1
Slopes of the best fit lines for pharmaceutical glasses with their thermodynamic and structural properties
Compounds
Molecular
weight
(Da)
T
g (°C) a
C p (J/g °C) b
T
m (°C)
H m (J/mol) m
DC m
DTg
H
donor H
accept Rotatable
bonds
Slope
for
T
g -q
Slope
for
C p -q
Slope
for
H-q
Clotrimazole 344.8
26.8
0.330
141
33.3
91
63
0
1
4
0.398 0.00625 0.662
Curcumin
368.4
61.9
0.517
182
50.1
79
87
2
6
8
0.261 0.00095 0.291
Fenofibrate
360.8
−22.0
0.434
80
33.0
73
82
0
3
7
0.477 0.00215 0.668
Ibuprofen
206.3
−46.7
0.362
76
26.5
51
75
1
2
4
0.515 0.00197 0.568
Indomethacin 357.8
43.3
0.417
161
37.6
67
85
1
4
4
0.594 0.00128 0.406
Itraconazole
705.6
54.9
0.428
168
57.6
126 125
0
9
11
0.394 0.00303 0.510
Ketoconazole 531.4
41.9
0.405
147
52.9
118
97
0
6
7
0.414 0.00314 0.550
Ketoprofen
254.3
-5.6
0.471
95
28.3
61
67
1
3
4
0.337 0.00499 0.624
Loratadine
382.9
33.8
0.295
134
27.3
78
72
0
2
2
0.199 0.00593 0.281
Probucol
516.8
23.8
0.298
126
34.2
60 138
2
2
8
0.509 0.00243 0.987
Procaine
236.3
−42.2
0.655
61
26.2
129
90
1
3
7
0.412 0.00525 0.872
Ribavirin
244.2
52.6
0.707
168
45.7
96
70
4
7
3
0.732 0.00657 0.749
Ritonavir
721.0
45.7
0.470
122
65.3
75
86
4
6
18
0.696 0.00212 0.559
T
g : glass transition temperature,
C p : heat capacity difference at T
g , T
m : melting temperature,
H m : melting enthalpy, m
DC : fragility determined by
extrapolation of the configurational entropy to the Kauzmann temperature, m
DTg : fragility determined from the ramp rate dependence of T
g , H
donor : number of
hydrogen bond donor, H
accept : number of hydrogen bond acceptor
a
Onset temperature, cooled at 20 °C/min and heated at 10 °C/min
b
Cooled at 20 °C/min and heated at 10 °C/min
99
Table 6.1
Slopes of the best fit lines for pharmaceutical glasses with their thermodynamic and structural properties
Compounds
Molecular
weight
(Da)
T
g (°C) a
C p (J/g °C) b
T
m (°C)
H m (J/mol) m
DC m
DTg
H
donor H
accept Rotatable
bonds
Slope
for
T
g -q
Slope
for
C p -q
Slope
for
H-q
Clotrimazole 344.8
26.8
0.330
141
33.3
91
63
0
1
4
0.398 0.00625 0.662
Curcumin
368.4
61.9
0.517
182
50.1
79
87
2
6
8
0.261 0.00095 0.291
Fenofibrate
360.8
−22.0
0.434
80
33.0
73
82
0
3
7
0.477 0.00215 0.668
Ibuprofen
206.3
−46.7
0.362
76
26.5
51
75
1
2
4
0.515 0.00197 0.568
Indomethacin 357.8
43.3
0.417
161
37.6
67
85
1
4
4
0.594 0.00128 0.406
Itraconazole
705.6
54.9
0.428
168
57.6
126 125
0
9
11
0.394 0.00303 0.510
Ketoconazole 531.4
41.9
0.405
147
52.9
118
97
0
6
7
0.414 0.00314 0.550
Ketoprofen
254.3
-5.6
0.471
95
28.3
61
67
1
3
4
0.337 0.00499 0.624
Loratadine
382.9
33.8
0.295
134
27.3
78
72
0
2
2
0.199 0.00593 0.281
Probucol
516.8
23.8
0.298
126
34.2
60 138
2
2
8
0.509 0.00243 0.987
Procaine
236.3
−42.2
0.655
61
26.2
129
90
1
3
7
0.412 0.00525 0.872
Ribavirin
244.2
52.6
0.707
168
45.7
96
70
4
7
3
0.732 0.00657 0.749
Ritonavir
721.0
45.7
0.470
122
65.3
75
86
4
6
18
0.696 0.00212 0.559
T
g : glass transition temperature,
C p : heat capacity difference at T
g , T
m : melting temperature,
H m : melting enthalpy, m
DC : fragility determined by
extrapolation of the configurational entropy to the Kauzmann temperature, m
DTg : fragility determined from the ramp rate dependence of T
g , H
donor : number of
hydrogen bond donor, H
accept : number of hydrogen bond acceptor
a
Onset temperature, cooled at 20 °C/min and heated at 10 °C/min
b
Cooled at 20 °C/min and heated at 10 °C/min