2
0
2010
li
wan
3
journal
Original
Li, Y.[Yu]
Wang, F. -A.[Fu-An]
Ren, B.-z.[Bao-zeng]
J. Chem. Eng. Data
2010
2020-09-29
Measurement and Correlation of Solubilities of Cefpirome Sulfate in Aqueous Alcohol Solution between (278.15 and 308.15) K
The solubilities of cefpirome sulfate in water + (methanol, ethanol, 1-propanol, or 2-propanol) solvent mixtures have been measured using a dynamic method at temperature ranging from (278.15 to 318.15) K at atmospheric pressure. A solubility equation was proposed and verified by experimental results. The dissolution enthalpy and dissolution entropy have been calculated from the solubility data. The interactions between solute and solvent were discussed.
10.1021/je100870x
11
55
5375-5381
1
InChI=1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/b26-15-;/t16-,20-;/m1./s1
RKTNPKZEPLCLSF-QHBKFCFHSA-N
cefpirome sulfate
1-(((6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)-6,7-dihydro-5H-cyclopenta[b]pyridinium hydrogen sulfate
C22H24N6O9S3
1
Commercial source
1
99
2
HPLC
2
Dried in a desiccator
Dried by vacuum heating
Dried in a desiccator
Dried by vacuum heating
2
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
Fractional distillation
2
99.9
3
Estimated by the compiler
3
InChI=1S/CH4O/c1-2/h2H,1H3
OKKJLVBELUTLKV-UHFFFAOYSA-N
methanol
methyl alcohol
CH4O
1
Commercial source
1
99.8
3
Stated by supplier
4
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
ethanol
ethyl alcohol
C2H6O
1
Commercial source
1
99.8
3
Stated by supplier
5
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
BDERNNFJNOPAEC-UHFFFAOYSA-N
propan-1-ol
1-propanol
n-propanol
n-propyl alcohol
C3H8O
1
Commercial source
1
99.8
3
Stated by supplier
6
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
KFZMGEQAYNKOFK-UHFFFAOYSA-N
propan-2-ol
2-propanol
isopropanol
isopropyl alcohol
sec-propyl alcohol
C3H8O
1
Commercial source
1
99.8
3
Stated by supplier
1
2
1
1
1
Principal objective of the work
RDC
XXX
11/24/2010
1
Mole fraction
Laser Observation
1
Liquid
Direct value, X
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
1
1
Pressure, kPa
Liquid
101.3
4
1
Temperature, K
Liquid
1
278.15
5
1
0.0002931
4
1
2.32e-05
1
283.15
5
1
0.0003667
4
1
2.9e-05
1
288.15
5
1
0.0004506
4
1
3.57e-05
1
293.15
5
1
0.0005609
4
1
4.44e-05
1
298.15
5
1
0.0006844
4
1
5.42e-05
1
303.15
5
1
0.0008301
4
1
6.57e-05
1
308.15
5
1
0.00102
3
1
8e-05
2
3
1
2
1
1
1
Principal objective of the work
ARR
XXX
11/24/2010
1
Mole fraction
Laser Observation
1
Liquid
Direct value, X
3
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
1
1
Pressure, kPa
Liquid
101.3
4
1
Solvent: Mole fraction
3
Liquid
2
Temperature, K
Liquid
1
0
2
2
278.15
5
1
0.0002931
4
1
2.32e-05
1
0
2
2
283.15
5
1
0.0003667
4
1
2.9e-05
1
0
2
2
288.15
5
1
0.0004506
4
1
3.57e-05
1
0
2
2
293.15
5
1
0.0005609
4
1
4.44e-05
1
0
2
2
298.15
5
1
0.0006844
4
1
5.42e-05
1
0
2
2
303.15
5
1
0.0008301
4
1
6.57e-05
1
0
2
2
308.15
5
1
0.00102
3
1
8e-05
1
0.1046
4
2
278.15
5
1
0.0001939
4
1
1.42e-05
1
0.1046
4
2
283.15
5
1
0.0002478
4
1
1.82e-05
1
0.1046
4
2
288.15
5
1
0.0003181
4
1
2.33e-05
1
0.1046
4
2
293.15
5
1
0.000404
3
1
3e-05
1
0.1046
4
2
298.15
5
1
0.000501
3
1
3.7e-05
1
0.1046
4
2
303.15
5
1
0.0006186
4
1
4.53e-05
1
0.1046
4
2
308.15
5
1
0.0007601
4
1
5.57e-05
1
0.2004
4
2
278.15
5
1
0.0001205
4
1
8.3e-06
1
0.2004
4
2
283.15
5
1
0.0001536
4
1
1.05e-05
1
0.2004
4
2
288.15
5
1
0.0001996
4
1
1.37e-05
1
0.2004
4
2
293.15
5
1
0.0002548
4
1
1.75e-05
1
0.2004
4
2
298.15
5
1
0.0003213
4
1
2.2e-05
1
0.2004
4
2
303.15
5
1
0.000402
3
1
2.8e-05
1
0.2004
4
2
308.15
5
1
0.000505
3
1
3.5e-05
1
0.3006
4
2
278.15
5
1
6.321e-05
4
1
4.06e-06
1
0.3006
4
2
283.15
5
1
8.297e-05
4
1
5.33e-06
1
0.3006
4
2
288.15
5
1
0.0001088
4
1
7e-06
1
0.3006
4
2
293.15
5
1
0.0001404
4
1
9e-06
1
0.3006
4
2
298.15
5
1
0.0001767
4
1
1.14e-05
1
0.3006
4
2
303.15
5
1
0.0002262
4
1
1.45e-05
1
0.3006
4
2
308.15
5
1
0.0002882
4
1
1.85e-05
1
0.3998
4
2
278.15
5
1
2.866e-05
4
1
1.73e-06
1
0.3998
4
2
283.15
5
1
3.792e-05
4
1
2.3e-06
1
0.3998
4
2
288.15
5
1
5.073e-05
4
1
3.07e-06
1
0.3998
4
2
293.15
5
1
6.52e-05
3
1
3.9e-06
1
0.3998
4
2
298.15
5
1
8.627e-05
4
1
5.22e-06
1
0.3998
4
2
303.15
5
1
0.000109
3
1
7e-06
1
0.3998
4
2
308.15
5
1
0.0001412
4
1
8.6e-06
1
0.4999
4
2
278.15
5
1
1.288e-05
4
1
7.3e-07
1
0.4999
4
2
283.15
5
1
1.687e-05
4
1
9.6e-07
1
0.4999
4
2
288.15
5
1
2.277e-05
4
1
1.3e-06
1
0.4999
4
2
293.15
5
1
3.043e-05
4
1
1.74e-06
1
0.4999
4
2
298.15
5
1
3.947e-05
4
1
2.26e-06
1
0.4999
4
2
303.15
5
1
5.212e-05
4
1
2.98e-06
1
0.4999
4
2
308.15
5
1
6.753e-05
4
1
3.89e-06
1
0.6
4
2
278.15
5
1
6.008e-06
4
1
3.24e-07
1
0.6
4
2
283.15
5
1
8.442e-06
4
1
4.58e-07
1
0.6
4
2
288.15
5
1
1.17e-05
3
1
6e-07
1
0.6
4
2
293.15
5
1
1.58e-05
3
1
9e-07
1
0.6
4
2
298.15
5
1
2.107e-05
4
1
1.14e-06
1
0.6
4
2
303.15
5
1
2.769e-05
4
1
1.5e-06
1
0.6
4
2
308.15
5
1
3.619e-05
4
1
1.97e-06
1
0.7012
4
2
278.15
5
1
3.436e-06
4
1
1.76e-07
1
0.7012
4
2
283.15
5
1
4.794e-06
4
1
2.47e-07
1
0.7012
4
2
288.15
5
1
6.681e-06
4
1
3.44e-07
1
0.7012
4
2
293.15
5
1
9.141e-06
4
1
4.71e-07
1
0.7012
4
2
298.15
5
1
1.226e-05
4
1
6.3e-07
1
0.7012
4
2
303.15
5
1
1.638e-05
4
1
8.4e-07
1
0.7012
4
2
308.15
5
1
2.176e-05
4
1
1.13e-06
1
0.8017
4
2
278.15
5
1
3.046e-06
4
1
1.49e-07
1
0.8017
4
2
283.15
5
1
3.924e-06
4
1
1.92e-07
1
0.8017
4
2
288.15
5
1
5.266e-06
4
1
2.58e-07
1
0.8017
4
2
293.15
5
1
7.135e-06
4
1
3.5e-07
1
0.8017
4
2
298.15
5
1
9.46e-06
3
1
4.6e-07
1
0.8017
4
2
303.15
5
1
1.299e-05
4
1
6.4e-07
1
0.8017
4
2
308.15
5
1
1.815e-05
4
1
8.9e-07
3
4
1
2
1
1
1
Principal objective of the work
ARR
XXX
11/24/2010
1
Mole fraction
Laser Observation
1
Liquid
Direct value, X
4
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
1
1
Pressure, kPa
Liquid
101.3
4
1
Solvent: Mole fraction
4
Liquid
2
Temperature, K
Liquid
1
0.1025
4
2
278.15
5
1
0.0001767
4
1
1.21e-05
1
0.1025
4
2
283.15
5
1
0.0002233
4
1
1.53e-05
1
0.1025
4
2
288.15
5
1
0.0002794
4
1
1.91e-05
1
0.1025
4
2
293.15
5
1
0.0003516
4
1
2.4e-05
1
0.1025
4
2
298.15
5
1
0.0004373
4
1
2.99e-05
1
0.1025
4
2
303.15
5
1
0.0005346
4
1
3.65e-05
1
0.1025
4
2
308.15
5
1
0.0006655
4
1
4.55e-05
1
0.2016
4
2
278.15
5
1
9.449e-05
4
1
5.7e-06
1
0.2016
4
2
283.15
5
1
0.0001225
4
1
7.4e-06
1
0.2016
4
2
288.15
5
1
0.0001563
4
1
9.4e-06
1
0.2016
4
2
293.15
5
1
0.0002008
4
1
1.21e-05
1
0.2016
4
2
298.15
5
1
0.000252
4
1
1.52e-05
1
0.2016
4
2
303.15
5
1
0.0003185
4
1
1.92e-05
1
0.2016
4
2
308.15
5
1
0.0003882
4
1
2.34e-05
1
0.3022
4
2
278.15
5
1
4.027e-05
4
1
2.17e-06
1
0.3022
4
2
283.15
5
1
5.285e-05
4
1
2.86e-06
1
0.3022
4
2
288.15
5
1
6.972e-05
4
1
3.76e-06
1
0.3022
4
2
293.15
5
1
8.837e-05
4
1
4.77e-06
1
0.3022
4
2
298.15
5
1
0.0001144
4
1
6.2e-06
1
0.3022
4
2
303.15
5
1
0.0001445
4
1
7.8e-06
1
0.3022
4
2
308.15
5
1
0.0001803
4
1
9.8e-06
1
0.4
4
2
278.15
5
1
1.438e-05
4
1
7e-07
1
0.4
4
2
283.15
5
1
1.883e-05
4
1
9.2e-07
1
0.4
4
2
288.15
5
1
2.492e-05
4
1
1.22e-06
1
0.4
4
2
293.15
5
1
3.231e-05
4
1
1.58e-06
1
0.4
4
2
298.15
5
1
4.149e-05
4
1
2.03e-06
1
0.4
4
2
303.15
5
1
5.403e-05
4
1
2.64e-06
1
0.4
4
2
308.15
5
1
6.841e-05
4
1
3.42e-06
1
0.5004
4
2
278.15
5
1
5.081e-06
4
1
2.26e-07
1
0.5004
4
2
283.15
5
1
6.859e-06
4
1
3.07e-07
1
0.5004
4
2
288.15
5
1
9.075e-06
4
1
4.07e-07
1
0.5004
4
2
293.15
5
1
1.213e-05
4
1
5.4e-07
1
0.5004
4
2
298.15
5
1
1.589e-05
4
1
7.1e-07
1
0.5004
4
2
303.15
5
1
2.04e-05
4
1
9.1e-07
1
0.5004
4
2
308.15
5
1
2.646e-05
4
1
1.21e-06
1
0.6092
4
2
278.15
5
1
1.204e-06
4
1
5e-08
1
0.6092
4
2
283.15
5
1
1.641e-06
4
1
6.7e-08
1
0.6092
4
2
288.15
5
1
2.283e-06
4
1
9.4e-08
1
0.6092
4
2
293.15
5
1
3.051e-06
4
1
1.25e-07
1
0.6092
4
2
298.15
5
1
3.997e-06
4
1
1.64e-07
1
0.6092
4
2
303.15
5
1
5.236e-06
4
1
2.14e-07
1
0.6092
4
2
308.15
5
1
6.859e-06
4
1
2.8e-07
4
5
1
2
1
1
1
Principal objective of the work
ARR
XXX
11/24/2010
1
Mole fraction
Laser Observation
1
Liquid
Direct value, X
5
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
1
1
Pressure, kPa
Liquid
101.3
4
1
Solvent: Mole fraction
5
Liquid
2
Temperature, K
Liquid
1
0.1022
4
2
278.15
5
1
0.0001597
4
1
1.02e-05
1
0.1022
4
2
283.15
5
1
0.0002073
4
1
1.33e-05
1
0.1022
4
2
288.15
5
1
0.0002568
4
1
1.64e-05
1
0.1022
4
2
293.15
5
1
0.0003195
4
1
2.04e-05
1
0.1022
4
2
298.15
5
1
0.0003985
4
1
2.55e-05
1
0.1022
4
2
303.15
5
1
0.0004948
4
1
3.17e-05
1
0.1022
4
2
308.15
5
1
0.0006062
4
1
3.88e-05
1
0.2003
4
2
278.15
5
1
7.875e-05
4
1
4.25e-06
1
0.2003
4
2
283.15
5
1
0.0001043
4
1
5.6e-06
1
0.2003
4
2
288.15
5
1
0.0001326
4
1
7.2e-06
1
0.2003
4
2
293.15
5
1
0.0001672
4
1
9e-06
1
0.2003
4
2
298.15
5
1
0.0002114
4
1
1.14e-05
1
0.2003
4
2
303.15
5
1
0.0002626
4
1
1.42e-05
1
0.2003
4
2
308.15
5
1
0.0003244
4
1
1.76e-05
1
0.3004
4
2
278.15
5
1
3.109e-05
4
1
1.44e-06
1
0.3004
4
2
283.15
5
1
4.078e-05
4
1
1.91e-06
1
0.3004
4
2
288.15
5
1
5.202e-05
4
1
2.43e-06
1
0.3004
4
2
293.15
5
1
6.787e-05
4
1
3.17e-06
1
0.3004
4
2
298.15
5
1
8.656e-05
4
1
4.04e-06
1
0.3004
4
2
303.15
5
1
0.0001084
4
1
5.1e-06
1
0.3004
4
2
308.15
5
1
0.0001367
4
1
6.5e-06
1
0.4
4
2
278.15
5
1
1.183e-05
4
1
4.8e-07
1
0.4
4
2
283.15
5
1
1.554e-05
4
1
6.4e-07
1
0.4
4
2
288.15
5
1
2.019e-05
4
1
8.3e-07
1
0.4
4
2
293.15
5
1
2.604e-05
4
1
1.07e-06
1
0.4
4
2
298.15
5
1
3.364e-05
4
1
1.39e-06
1
0.4
4
2
303.15
5
1
4.338e-05
4
1
1.79e-06
1
0.4
4
2
308.15
5
1
5.509e-05
4
1
2.31e-06
1
0.5003
4
2
278.15
5
1
3.438e-06
4
1
1.26e-07
1
0.5003
4
2
283.15
5
1
4.573e-06
4
1
1.69e-07
1
0.5003
4
2
288.15
5
1
5.929e-06
4
1
2.18e-07
1
0.5003
4
2
293.15
5
1
7.705e-06
4
1
2.84e-07
1
0.5003
4
2
298.15
5
1
1.002e-05
4
1
3.7e-07
1
0.5003
4
2
303.15
5
1
1.322e-05
4
1
4.9e-07
1
0.5003
4
2
308.15
5
1
1.698e-05
4
1
6.7e-07
1
0.6
4
2
278.15
5
1
8.043e-07
4
1
2.71e-08
1
0.6
4
2
283.15
5
1
1.097e-06
4
1
3.7e-08
1
0.6
4
2
288.15
5
1
1.475e-06
4
1
4.9e-08
1
0.6
4
2
293.15
5
1
1.958e-06
4
1
6.5e-08
1
0.6
4
2
298.15
5
1
2.563e-06
4
1
8.6e-08
1
0.6
4
2
303.15
5
1
3.372e-06
4
1
1.12e-07
1
0.6
4
2
308.15
5
1
4.391e-06
4
1
1.46e-07
5
6
1
2
1
1
1
Principal objective of the work
ARR
XXX
11/24/2010
1
Mole fraction
Laser Observation
1
Liquid
Direct value, X
6
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
1
1
Pressure, kPa
Liquid
101.3
4
1
Solvent: Mole fraction
6
Liquid
2
Temperature, K
Liquid
1
0.1092
4
2
278.15
5
1
0.000133
4
1
8.4e-06
1
0.1092
4
2
283.15
5
1
0.0001673
4
1
1.06e-05
1
0.1092
4
2
288.15
5
1
0.0002128
4
1
1.34e-05
1
0.1092
4
2
293.15
5
1
0.000262
4
1
1.65e-05
1
0.1092
4
2
298.15
5
1
0.0003275
4
1
2.07e-05
1
0.1092
4
2
303.15
5
1
0.0003992
4
1
2.52e-05
1
0.1092
4
2
308.15
5
1
0.0004995
4
1
3.15e-05
1
0.2005
4
2
278.15
5
1
6.875e-05
4
1
3.71e-06
1
0.2005
4
2
283.15
5
1
8.863e-05
4
1
4.79e-06
1
0.2005
4
2
288.15
5
1
0.0001136
4
1
6.1e-06
1
0.2005
4
2
293.15
5
1
0.0001432
4
1
7.7e-06
1
0.2005
4
2
298.15
5
1
0.0001792
4
1
9.7e-06
1
0.2005
4
2
303.15
5
1
0.0002226
4
1
1.2e-05
1
0.2005
4
2
308.15
5
1
0.0002774
4
1
1.5e-05
1
0.3009
4
2
278.15
5
1
2.809e-05
4
1
1.3e-06
1
0.3009
4
2
283.15
5
1
3.68e-05
4
1
1.72e-06
1
0.3009
4
2
288.15
5
1
4.782e-05
4
1
2.23e-06
1
0.3009
4
2
293.15
5
1
6.147e-05
4
1
2.87e-06
1
0.3009
4
2
298.15
5
1
7.806e-05
4
1
3.64e-06
1
0.3009
4
2
303.15
5
1
9.815e-05
4
1
4.58e-06
1
0.3009
4
2
308.15
5
1
0.000123
4
1
5.8e-06
1
0.4009
4
2
278.15
5
1
1.023e-05
4
1
4.2e-07
1
0.4009
4
2
283.15
5
1
1.354e-05
4
1
5.6e-07
1
0.4009
4
2
288.15
5
1
1.809e-05
4
1
7.5e-07
1
0.4009
4
2
293.15
5
1
2.394e-05
4
1
9.9e-07
1
0.4009
4
2
298.15
5
1
3.074e-05
4
1
1.26e-06
1
0.4009
4
2
303.15
5
1
3.908e-05
4
1
1.61e-06
1
0.4009
4
2
308.15
5
1
4.889e-05
4
1
2.05e-06
1
0.5007
4
2
278.15
5
1
3.288e-06
4
1
1.2e-07
1
0.5007
4
2
283.15
5
1
4.373e-06
4
1
1.61e-07
1
0.5007
4
2
288.15
5
1
5.729e-06
4
1
2.11e-07
1
0.5007
4
2
293.15
5
1
7.505e-06
4
1
2.76e-07
1
0.5007
4
2
298.15
5
1
9.636e-06
4
1
3.55e-07
1
0.5007
4
2
303.15
5
1
1.262e-05
4
1
4.6e-07
1
0.5007
4
2
308.15
5
1
1.637e-05
4
1
6.3e-07
1
0.6005
4
2
278.15
5
1
7.553e-07
4
1
2.54e-08
1
0.6005
4
2
283.15
5
1
1.027e-06
4
1
3.4e-08
1
0.6005
4
2
288.15
5
1
1.385e-06
4
1
4.6e-08
1
0.6005
4
2
293.15
5
1
1.778e-06
4
1
5.9e-08
1
0.6005
4
2
298.15
5
1
2.353e-06
4
1
7.8e-08
1
0.6005
4
2
303.15
5
1
3.082e-06
4
1
1.03e-07
1
0.6005
4
2
308.15
5
1
4.078e-06
4
1
1.36e-07