2
0
2019
liu
asa
0
journal
Original
Liu, B.[Bingbing]
Asadzadeh, B.[Behnaz]
Yan, W.[Weidong]
J. Chem. Eng. Data
2019
2020-09-29
Solubility Determination and Modeling of EGCG Peracetate in 12 Pure Solvents at Temperatures from 278.15 to 318.15 K
The solubility of EGCG peracetate in 12 pure solvents (methanol, ethanol, 1propanol, 1-butanol, 2-propanol, 2-butanol, 1-pentanol, 1-hexanol, 2-methoxyethanol, 2-ethoxyethanol, 2-propoxyethanol, and 2-butoxyethanol) was measured using the static method at temperature range 278.15-318.15 K under atmospheric pressure. The solubility of EGCG peracetate in the selected solvents increased with increasing temperature in 12 solvents, and the most notable change was found in methanol. The obtained solubility data were correlated with the Van t Hoff equation, modified Apelblat equation, eh equation and NRTL model. Furthermore, crystal forms of EGCG peracetate in 12 pure solvents were studied by scanning electron microscope and X-ray powder diffraction. The obtained solubility values would be helpful in the purification and crystallization process of EGCG peracetate.
10.1021/acs.jced.9b00428
12
64
5218-5224
1
InChI=1S/C38H34O19/c1-16(39)48-26-13-28(49-17(2)40)27-15-34(57-38(47)25-11-32(52-20(5)43)37(55-23(8)46)33(12-25)53-21(6)44)35(56-29(27)14-26)24-9-30(50-18(3)41)36(54-22(7)45)31(10-24)51-19(4)42/h9-14,34-35H,15H2,1-8H3/t34-,35-/m1/s1
SVHJCTSSYQPWEV-VSJLXWSYSA-N
(-)-epigallocatechin gallate octaacetate
C38H34O19
1
Synthesized by the authors
1
99
2
HPLC
2
InChI=1S/CH4O/c1-2/h2H,1H3
OKKJLVBELUTLKV-UHFFFAOYSA-N
methanol
methyl alcohol
CH4O
1
Commercial source
1
99.5
3
Stated by supplier
3
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
ethanol
ethyl alcohol
C2H6O
1
Commercial source
1
99.7
3
Stated by supplier
4
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
3
Stated by supplier
5
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
LRHPLDYGYMQRHN-UHFFFAOYSA-N
butan-1-ol
1-butanol
n-butanol
n-butyl alcohol
C4H10O
1
Commercial source
1
99.5
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
99.7
3
Stated by supplier
7
InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
BTANRVKWQNVYAZ-UHFFFAOYSA-N
butan-2-ol
(RS)-2-butanol
2-butanol
DL-2-butanol
dl-2-butanol
dl-sec-butyl alcohol
sec-butanol
sec-butyl alcohol
C4H10O
1
Commercial source
1
98
3
Stated by supplier
8
InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
AMQJEAYHLZJPGS-UHFFFAOYSA-N
pentan-1-ol
1-pentanol
amyl alcohol
n-amyl alcohol
n-pentyl alcohol
pentyl alcohol
C5H12O
1
Commercial source
1
98.5
3
Stated by supplier
9
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
ZSIAUFGUXNUGDI-UHFFFAOYSA-N
hexan-1-ol
1-hexanol
1-hydroxyhexane
amylcarbinol
hexyl alcohol
n-hexanol
n-hexyl alcohol
pentylcarbinol
C6H14O
1
Commercial source
1
98
3
Stated by supplier
10
InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
XNWFRZJHXBZDAG-UHFFFAOYSA-N
2-methoxyethan-1-ol
1,2-ethanediol, methyl ether
1,2-ethanediol, monomethyl ether
2-methoxy-1-ethanol
2-methoxyethanol
3-oxa-1-butanol
ethylene glycol methyl ether
ethylene glycol, monomethyl ether
C3H8O2
1
Commercial source
1
99
3
Stated by supplier
11
InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
ZNQVEEAIQZEUHB-UHFFFAOYSA-N
2-ethoxyethan-1-ol
1,2-ethanediol, monoethyl ether
2-ethoxyethanol
3-oxa-1-pentanol
ethyl cellosolve
ethyl glycol
ethylene glycol monoethyl ether
ethylene glycol, monoethyl ether
C4H10O2
1
Commercial source
1
99
3
Stated by supplier
12
InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3
YEYKMVJDLWJFOA-UHFFFAOYSA-N
2-propoxyethanol
ethanol, 2-propoxy-
ethylene glycol monopropyl ether
ethylene glycol propyl ether
propyl cellosolve
C5H12O2
1
Commercial source
1
99.4
3
Stated by supplier
13
InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
POAOYUHQDCAZBD-UHFFFAOYSA-N
2-butoxyethan-1-ol
.beta.-butoxyethanol
1,2-ethanediol, butyl ether
1,2-ethanediol, monobutyl ether
2-butoxy-1-ethanol
2-butoxyethanol
2-n-butoxyethanol
3-oxa-1-heptanol
butyl cellosolve
butyl glycol
ethylene glycol butyl ether
ethylene glycol mono-n-butyl ether
ethylene glycol monobutyl ether
ethylene glycol n-butyl ether
glycol butyl ether
glycol monobutyl ether
monobutyl glycol ether
n-butyl cellosolve
C6H14O2
1
Commercial source
1
99
3
Stated by supplier
1
1
1
2
1
Principal objective of the work
EP
EP
9/3/2019
1
Mole fraction
Chromatography
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Glass
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
2.05e-06
3
1
8.2e-07
1
288.15
5
1
1.65e-05
3
1
6.6e-06
1
298.15
5
1
5.8e-05
3
1
2.32e-05
1
308.15
5
1
0.0001839
4
1
7.37e-05
1
318.15
5
1
0.000612
4
1
0.0002451
2
1
1
3
1
Principal objective of the work
EP
EP
9/3/2019
1
Mole fraction
Chromatography
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Glass
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
5.41e-05
3
1
2.17e-05
1
288.15
5
1
9.24e-05
3
1
3.7e-05
1
298.15
5
1
0.000175
4
1
7.01e-05
1
308.15
5
1
0.0003874
4
1
0.0001552
1
318.15
5
1
0.0007137
4
1
0.0002859
3
1
1
4
1
Principal objective of the work
EP
EP
9/3/2019
1
Mole fraction
Chromatography
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Glass
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
1.22e-05
3
1
4.9e-06
1
288.15
5
1
3.79e-05
3
1
1.52e-05
1
298.15
5
1
9.06e-05
3
1
3.63e-05
1
308.15
5
1
0.0001947
4
1
7.8e-05
1
318.15
5
1
0.0006563
4
1
0.0002629
4
1
1
5
1
Principal objective of the work
EP
EP
9/3/2019
1
Mole fraction
Chromatography
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Glass
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
3.9e-06
3
1
1.56e-06
1
288.15
5
1
1.95e-05
3
1
7.8e-06
1
298.15
5
1
5.41e-05
3
1
2.17e-05
1
308.15
5
1
0.0001356
4
1
5.43e-05
1
318.15
5
1
0.0003487
4
1
0.0001397
5
1
1
6
1
Principal objective of the work
EP
EP
9/3/2019
1
Mole fraction
Chromatography
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Glass
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
6e-06
3
1
2.4e-06
1
288.15
5
1
1.67e-05
3
1
6.7e-06
1
298.15
5
1
5.53e-05
3
1
2.22e-05
1
308.15
5
1
0.0001939
4
1
7.77e-05
1
318.15
5
1
0.0004807
4
1
0.0001926
6
1
1
7
1
Principal objective of the work
EP
EP
9/3/2019
1
Mole fraction
Chromatography
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Glass
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
5.04e-06
3
1
2.02e-06
1
288.15
5
1
2.12e-05
3
1
8.5e-06
1
298.15
5
1
4.97e-05
3
1
1.99e-05
1
308.15
5
1
0.0001399
4
1
5.61e-05
1
318.15
5
1
0.0006362
4
1
0.0002548
7
1
1
8
1
Principal objective of the work
EP
EP
9/3/2019
1
Mole fraction
Chromatography
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Glass
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
9.85e-07
3
1
3.95e-07
1
288.15
5
1
5.7e-06
3
1
2.28e-06
1
298.15
5
1
3.01e-05
3
1
1.21e-05
1
308.15
5
1
8.6e-05
3
1
3.44e-05
1
318.15
5
1
0.0001867
4
1
7.48e-05
8
1
1
9
1
Principal objective of the work
EP
EP
9/3/2019
1
Mole fraction
Chromatography
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Glass
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
6.8e-07
3
1
2.73e-07
1
288.15
5
1
3.87e-06
3
1
1.55e-06
1
298.15
5
1
1.79e-05
3
1
7.2e-06
1
308.15
5
1
5.35e-05
3
1
2.14e-05
1
318.15
5
1
0.0001379
4
1
5.52e-05
9
1
1
10
1
Principal objective of the work
EP
EP
9/3/2019
1
Mole fraction
Chromatography
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Glass
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
0.01577
4
1
0.00632
1
288.15
5
1
0.02543
4
1
0.01019
1
298.15
5
1
0.03645
4
1
0.0146
1
308.15
5
1
0.05585
4
1
0.02237
1
318.15
5
1
0.0815
4
1
0.03265
10
1
1
11
1
Principal objective of the work
EP
EP
9/3/2019
1
Mole fraction
Chromatography
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Glass
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
0.009043
4
1
0.003622
1
288.15
5
1
0.01512
4
1
0.00606
1
298.15
5
1
0.0272
4
1
0.0109
1
308.15
5
1
0.04362
4
1
0.01747
1
318.15
5
1
0.07008
4
1
0.02807
11
1
1
12
1
Principal objective of the work
EP
EP
9/3/2019
1
Mole fraction
Chromatography
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Glass
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
0.002754
4
1
0.001103
1
288.15
5
1
0.003518
4
1
0.001409
1
298.15
5
1
0.00456
4
1
0.001827
1
308.15
5
1
0.0059
4
1
0.002363
1
318.15
5
1
0.008093
4
1
0.003242
12
1
1
13
1
Principal objective of the work
EP
EP
9/3/2019
1
Mole fraction
Chromatography
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Glass
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
278.15
5
1
0.001416
4
1
0.000567
1
288.15
5
1
0.001953
4
1
0.000782
1
298.15
5
1
0.002684
4
1
0.001075
1
308.15
5
1
0.003836
4
1
0.001537
1
318.15
5
1
0.005594
4
1
0.002241