2
0
2016
sun
li
0
journal
Original
Sun, M.[Mengmeng]
Li, K.[Kangli]
Du, S.[Shichao]
Liu, Y.[Yumin]
Han, D.[Dandan]
Li, X.[Xiaona]
Yang, P.[Peng]
Liu, S.[Shiyuan]
Gong, J.[Junbo]
J. Chem. Thermodyn.
2016
2020-09-29
Correlation and thermodynamic analysis of solubility of cefmetazole acid in three (alcohol + water) binary solvents at temperatures from 278.15 K to 303.15 K
The solubility of cefmetazole acid in binary solvent mixtures, (methanol + water), (ethanol + water) and (isopropanol + water), was determined by UV spectroscopic method at temperatures from 278.15 to 303.15 K. The solubility of cefmetazole acid increased with the increase of temperature in all solvents. In (methanol + water) co-solvent mixture, the solubility of cefmetazole acid is maximal in neat methanol. In (ethanol + water) and (isopropanol + water) solvent mixtures, the solubility of cefmetazole acid reaches its maximum when the mole fraction of alcohol is 0.5 and 0.4, respectively. The modified Apelblat equation, the CNIBS/R-K model and the Jouyban Acree model were applied to correlate the experimental solubility of cefmetazole acid. Moreover, the activity coefficients as well as the thermodynamic properties of mixing were calculated and discussed based on the NRTL model and experimental solubility values.
Cefmetazole acid
Solubility
Activity coefficient
Thermodynamic property
10.1016/j.jct.2016.08.024
103
355-365
1
InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1
SNBUBQHDYVFSQF-HIFRSBDPSA-N
Cefmetazole
(6R,7S)-7-(2-((cyanomethyl)thio)acetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C15H17N7O5S3
1
Commercial source
1
98
2
Stated by supplier
2
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
Fractional distillation
2
99.8
3
Estimated by the compiler
3
InChI=1S/CH4O/c1-2/h2H,1H3
OKKJLVBELUTLKV-UHFFFAOYSA-N
methanol
methyl alcohol
CH4O
1
Commercial source
1
99.5
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
99.5
3
Stated by supplier
5
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
99.5
3
Stated by supplier
1
3
1
2
1
1
1
Principal objective of the work
AB
TRC
2/2/2017
1
Mole fraction
UV Spectrophotometry
1
Liquid
Direct value, X
3
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
2
Solvent: Mole fraction
3
Liquid
1
278.15
5
2
0.2
2
1
7.75e-05
3
1
1.44e-05
1
278.15
5
2
0.3
2
1
0.000161
4
1
2.98e-05
1
278.15
5
2
0.4
2
1
0.0003114
4
1
5.8e-05
1
278.15
5
2
0.5
2
1
0.0005275
4
1
9.81e-05
1
278.15
5
2
0.6
2
1
0.0007994
4
1
0.0001452
1
278.15
5
2
0.7
2
1
0.00101
4
1
0.000182
1
278.15
5
2
0.8
2
1
0.001209
4
1
0.000218
1
278.15
5
2
0.9
2
1
0.001389
4
1
0.00025
1
278.15
5
2
1
3
1
0.001632
4
1
0.000294
1
283.15
5
2
0.2
2
1
0.0001118
4
1
2.08e-05
1
283.15
5
2
0.3
2
1
0.0002418
4
1
4.45e-05
1
283.15
5
2
0.4
2
1
0.0004098
4
1
7.63e-05
1
283.15
5
2
0.5
2
1
0.0007267
4
1
0.000133
1
283.15
5
2
0.6
2
1
0.0008802
4
1
0.0001597
1
283.15
5
2
0.7
2
1
0.001221
4
1
0.00022
1
283.15
5
2
0.8
2
1
0.001433
4
1
0.000258
1
283.15
5
2
0.9
2
1
0.001728
4
1
0.000311
1
283.15
5
2
1
3
1
0.001875
4
1
0.000338
1
288.15
5
2
0.2
2
1
0.0001498
4
1
2.76e-05
1
288.15
5
2
0.3
2
1
0.0003063
4
1
5.65e-05
1
288.15
5
2
0.4
2
1
0.0005609
4
1
0.0001037
1
288.15
5
2
0.5
2
1
0.0008896
4
1
0.0001636
1
288.15
5
2
0.6
2
1
0.001225
4
1
0.000222
1
288.15
5
2
0.7
2
1
0.001486
4
1
0.000268
1
288.15
5
2
0.8
2
1
0.001777
4
1
0.00032
1
288.15
5
2
0.9
2
1
0.00204
4
1
0.000367
1
288.15
5
2
1
3
1
0.002218
4
1
0.000399
1
293.15
5
2
0.2
2
1
0.0002087
4
1
3.88e-05
1
293.15
5
2
0.3
2
1
0.000446
4
1
8.2e-05
1
293.15
5
2
0.4
2
1
0.0007581
4
1
0.0001397
1
293.15
5
2
0.5
2
1
0.00118
4
1
0.000217
1
293.15
5
2
0.6
2
1
0.001669
4
1
0.000303
1
293.15
5
2
0.7
2
1
0.002095
4
1
0.000378
1
293.15
5
2
0.8
2
1
0.002389
4
1
0.00043
1
293.15
5
2
0.9
2
1
0.002507
4
1
0.000452
1
293.15
5
2
1
3
1
0.002733
4
1
0.000492
1
298.15
5
2
0.2
2
1
0.0002729
4
1
5.05e-05
1
298.15
5
2
0.3
2
1
0.0005551
4
1
0.0001027
1
298.15
5
2
0.4
2
1
0.001055
4
1
0.000195
1
298.15
5
2
0.5
2
1
0.001644
4
1
0.000302
1
298.15
5
2
0.6
2
1
0.002225
4
1
0.000404
1
298.15
5
2
0.7
2
1
0.002882
4
1
0.00052
1
298.15
5
2
0.8
2
1
0.003209
4
1
0.000578
1
298.15
5
2
0.9
2
1
0.003443
4
1
0.00062
1
298.15
5
2
1
3
1
0.003636
4
1
0.000655
1
303.15
5
2
0.2
2
1
0.0003243
4
1
6.09e-05
1
303.15
5
2
0.3
2
1
0.0007565
4
1
0.0001407
1
303.15
5
2
0.4
2
1
0.001483
4
1
0.000275
1
303.15
5
2
0.5
2
1
0.00236
4
1
0.000431
1
303.15
5
2
0.6
2
1
0.002959
4
1
0.000536
1
303.15
5
2
0.7
2
1
0.003689
4
1
0.000665
1
303.15
5
2
0.8
2
1
0.004115
4
1
0.000741
1
303.15
5
2
0.9
2
1
0.004363
4
1
0.000786
1
303.15
5
2
1
3
1
0.004455
4
1
0.000802
2
4
1
2
1
1
1
Principal objective of the work
AB
TRC
2/2/2017
1
Mole fraction
UV Spectrophotometry
1
Liquid
Direct value, X
4
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
2
Solvent: Mole fraction
4
Liquid
1
278.15
5
2
0.2
2
1
0.0001708
4
1
2.83e-05
1
278.15
5
2
0.3
2
1
0.0003519
4
1
5.79e-05
1
278.15
5
2
0.4
2
1
0.0006183
4
1
0.0001
1
278.15
5
2
0.5
2
1
0.0007114
4
1
0.000114
1
278.15
5
2
0.6
2
1
0.0007097
4
1
0.0001137
1
278.15
5
2
0.7
2
1
0.0006189
4
1
9.93e-05
1
278.15
5
2
0.8
2
1
0.0005
4
1
8.01e-05
1
278.15
5
2
0.9
2
1
0.0004091
4
1
6.55e-05
1
278.15
5
2
1
3
1
0.0002659
4
1
4.25e-05
1
283.15
5
2
0.2
2
1
0.0002198
4
1
3.64e-05
1
283.15
5
2
0.3
2
1
0.0004573
4
1
7.46e-05
1
283.15
5
2
0.4
2
1
0.000695
4
1
0.0001122
1
283.15
5
2
0.5
2
1
0.0008226
4
1
0.0001318
1
283.15
5
2
0.6
2
1
0.0008217
4
1
0.0001316
1
283.15
5
2
0.7
2
1
0.0007471
4
1
0.0001198
1
283.15
5
2
0.8
2
1
0.0005937
4
1
9.53e-05
1
283.15
5
2
0.9
2
1
0.0004103
4
1
6.57e-05
1
283.15
5
2
1
3
1
0.0002757
4
1
4.41e-05
1
288.15
5
2
0.2
2
1
0.0002902
4
1
4.78e-05
1
288.15
5
2
0.3
2
1
0.0005964
4
1
9.72e-05
1
288.15
5
2
0.4
2
1
0.0008858
4
1
0.0001429
1
288.15
5
2
0.5
2
1
0.001039
4
1
0.000167
1
288.15
5
2
0.6
2
1
0.001039
4
1
0.000166
1
288.15
5
2
0.7
2
1
0.0009693
4
1
0.0001555
1
288.15
5
2
0.8
2
1
0.0007137
4
1
0.0001146
1
288.15
5
2
0.9
2
1
0.0005034
4
1
8.07e-05
1
288.15
5
2
1
3
1
0.000343
4
1
5.49e-05
1
293.15
5
2
0.2
2
1
0.000435
4
1
7.17e-05
1
293.15
5
2
0.3
2
1
0.0008584
4
1
0.0001396
1
293.15
5
2
0.4
2
1
0.00124
4
1
0.0002
1
293.15
5
2
0.5
2
1
0.001435
4
1
0.00023
1
293.15
5
2
0.6
2
1
0.001423
4
1
0.000228
1
293.15
5
2
0.7
2
1
0.001184
4
1
0.00019
1
293.15
5
2
0.8
2
1
0.0009627
4
1
0.0001544
1
293.15
5
2
0.9
2
1
0.0006611
4
1
0.0001059
1
293.15
5
2
1
3
1
0.000435
4
1
6.96e-05
1
298.15
5
2
0.2
2
1
0.0005732
4
1
9.44e-05
1
298.15
5
2
0.3
2
1
0.001174
4
1
0.000191
1
298.15
5
2
0.4
2
1
0.001647
4
1
0.000265
1
298.15
5
2
0.5
2
1
0.001851
4
1
0.000296
1
298.15
5
2
0.6
2
1
0.001748
4
1
0.00028
1
298.15
5
2
0.7
2
1
0.001471
4
1
0.000236
1
298.15
5
2
0.8
2
1
0.001087
4
1
0.000175
1
298.15
5
2
0.9
2
1
0.0007124
4
1
0.0001142
1
298.15
5
2
1
3
1
0.0004898
4
1
7.84e-05
1
303.15
5
2
0.2
2
1
0.0008674
4
1
0.0001429
1
303.15
5
2
0.3
2
1
0.001705
4
1
0.000277
1
303.15
5
2
0.4
2
1
0.002405
4
1
0.000387
1
303.15
5
2
0.5
2
1
0.002597
4
1
0.000416
1
303.15
5
2
0.6
2
1
0.002373
4
1
0.000381
1
303.15
5
2
0.7
2
1
0.001962
4
1
0.000315
1
303.15
5
2
0.8
2
1
0.00143
4
1
0.00023
1
303.15
5
2
0.9
2
1
0.0009339
4
1
0.0001498
1
303.15
5
2
1
3
1
0.0006591
4
1
0.0001055
3
5
1
2
1
1
1
Principal objective of the work
AB
TRC
2/2/2017
1
Mole fraction
UV Spectrophotometry
1
Liquid
Direct value, X
5
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
2
Solvent: Mole fraction
5
Liquid
1
278.15
5
2
0.1
2
1
7.92e-05
3
1
8.6e-06
1
278.15
5
2
0.2
2
1
0.0002459
4
1
2.53e-05
1
278.15
5
2
0.3
2
1
0.000368
4
1
3.72e-05
1
278.15
5
2
0.4
2
1
0.0004072
4
1
4.08e-05
1
278.15
5
2
0.5
2
1
0.0003907
4
1
3.93e-05
1
278.15
5
2
0.6
2
1
0.0003359
4
1
3.41e-05
1
278.15
5
2
0.7
2
1
0.0002611
4
1
2.65e-05
1
278.15
5
2
0.8
2
1
0.0001916
4
1
1.95e-05
1
278.15
5
2
0.9
2
1
0.0001018
4
1
1.04e-05
1
283.15
5
2
0.1
2
1
0.0001152
4
1
1.21e-05
1
283.15
5
2
0.2
2
1
0.0002949
4
1
3.02e-05
1
283.15
5
2
0.3
2
1
0.0004242
4
1
4.29e-05
1
283.15
5
2
0.4
2
1
0.0005026
4
1
5.04e-05
1
283.15
5
2
0.5
2
1
0.0005018
4
1
5.03e-05
1
283.15
5
2
0.6
2
1
0.0004435
4
1
4.49e-05
1
283.15
5
2
0.7
2
1
0.0003384
4
1
3.44e-05
1
283.15
5
2
0.8
2
1
0.0002447
4
1
2.48e-05
1
283.15
5
2
0.9
2
1
0.0001393
4
1
1.41e-05
1
288.15
5
2
0.1
2
1
0.0001615
4
1
1.68e-05
1
288.15
5
2
0.2
2
1
0.0003852
4
1
3.95e-05
1
288.15
5
2
0.3
2
1
0.0005712
4
1
5.79e-05
1
288.15
5
2
0.4
2
1
0.0006725
4
1
6.75e-05
1
288.15
5
2
0.5
2
1
0.000656
4
1
6.59e-05
1
288.15
5
2
0.6
2
1
0.0005771
4
1
5.85e-05
1
288.15
5
2
0.7
2
1
0.0004344
4
1
4.44e-05
1
288.15
5
2
0.8
2
1
0.0002852
4
1
2.9e-05
1
288.15
5
2
0.9
2
1
0.0001803
4
1
1.82e-05
1
293.15
5
2
0.1
2
1
0.0002281
4
1
2.38e-05
1
293.15
5
2
0.2
2
1
0.0005706
4
1
5.85e-05
1
293.15
5
2
0.3
2
1
0.0008322
4
1
8.41e-05
1
293.15
5
2
0.4
2
1
0.0009225
4
1
9.25e-05
1
293.15
5
2
0.5
2
1
0.0009015
4
1
9.06e-05
1
293.15
5
2
0.6
2
1
0.0007756
4
1
7.88e-05
1
293.15
5
2
0.7
2
1
0.0005757
4
1
5.88e-05
1
293.15
5
2
0.8
2
1
0.000389
4
1
3.96e-05
1
293.15
5
2
0.9
2
1
0.0002202
4
1
2.23e-05
1
298.15
5
2
0.1
2
1
0.0003277
4
1
3.41e-05
1
298.15
5
2
0.2
2
1
0.0008005
4
1
8.17e-05
1
298.15
5
2
0.3
2
1
0.001098
4
1
0.000111
1
298.15
5
2
0.4
2
1
0.001223
4
1
0.000123
1
298.15
5
2
0.5
2
1
0.00117
4
1
0.000118
1
298.15
5
2
0.6
2
1
0.001027
4
1
0.000104
1
298.15
5
2
0.7
2
1
0.0007662
4
1
7.85e-05
1
298.15
5
2
0.8
2
1
0.0004795
4
1
4.91e-05
1
298.15
5
2
0.9
2
1
0.0002645
4
1
2.68e-05
1
303.15
5
2
0.1
2
1
0.0004721
4
1
4.92e-05
1
303.15
5
2
0.2
2
1
0.001151
4
1
0.000117
1
303.15
5
2
0.3
2
1
0.001579
4
1
0.000159
1
303.15
5
2
0.4
2
1
0.001726
4
1
0.000173
1
303.15
5
2
0.5
2
1
0.00161
4
1
0.000162
1
303.15
5
2
0.6
2
1
0.001348
4
1
0.000137
1
303.15
5
2
0.7
2
1
0.00101
4
1
0.000103
1
303.15
5
2
0.8
2
1
0.0006483
4
1
6.61e-05
1
303.15
5
2
0.9
2
1
0.0003968
4
1
4.01e-05
4
3
1
1
1
Principal objective of the work
AB
TRC
2/2/2017
1
Mole fraction
UV Spectrophotometry
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
0.001632
4
1
0.000294
1
283.15
5
1
0.001875
4
1
0.000338
1
288.15
5
1
0.002218
4
1
0.000399
1
293.15
5
1
0.002733
4
1
0.000492
1
298.15
5
1
0.003636
4
1
0.000655
1
303.15
5
1
0.004455
4
1
0.000802
5
4
1
1
1
Principal objective of the work
AB
TRC
2/2/2017
1
Mole fraction
UV Spectrophotometry
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
0.0002659
4
1
4.25e-05
1
283.15
5
1
0.0002757
4
1
4.41e-05
1
288.15
5
1
0.000343
4
1
5.49e-05
1
293.15
5
1
0.000435
4
1
6.96e-05
1
298.15
5
1
0.0004898
4
1
7.84e-05
1
303.15
5
1
0.0006591
4
1
0.0001055