JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2019
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IF 2.298
Bingbing Liu,Behnaz Asadzadeh,Weidong Yan
The solubility of (−)-epigallocatechin gallate (EGCG) peracetate in 12 pure solvents (methanol, ethanol, 1-propanol, 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 the 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, the modified Apelblat equation, the λh equation, and the nonrandom two-liquid model. Furthermore, solid forms of EGCG peracetate in 12 pure solvents were studied by a scanning electron microscope and X-ray powder diffraction. The obtained solubility values would be helpful in the purification and crystallization process of EGCG peracetate.
研究领域:
化学
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药学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
·
IF 2
Jingxuan Qiu,Jing Lin,Chaoqun Zhang,Liping Zhao,Peng Wang,Jia Zhang,Rui Zhang,Yunchun Guo,Huiliang Wang
In this paper, the solubility of furosemide in 12 monosolvents including methanol, ethanol, n-propanol, isopropanol, n-butanol, sec-butanol, 1-pentanol, acetone, 2-butanone, methyl acetate, ethyl acetate, and water was measured by using a static gravimetric method within the temperature range of 283.15 to 323.15 K under atmospheric pressure. The solubility magnitudes show an increasing tendency with the increase of temperature in all solvents. Within the entire temperature range, the solubility is the lowest in water (0.0053 × 10–3 at 283.15 K) and the highest in 1-pentanol (72.736 × 10–3 at 323.15 K). The rough subsequence of solubility is 1-pentanol > methanol > n-propanol > ethanol > isopropanol > sec-butanol > n-butanol in alcoholic solvents and acetone >2-butanone > methyl acetate > ethyl acetate > water in nonalcohol solvents. The solubility behavior of furosemide is a result of the combined effects of solvent polarity, solvent–solvent intermolecular interactions (characterized by cohesive energy density), and summation of hydrogen bond acceptor propensities. Moreover, the experimental solubility data were fitted by the models of Apelblat and Yaws. The results indicate that the two models could both correlate the experimental values satisfactorily, and the Yaws model is more appropriate to fit the solubility data of furosemide compared with the Apelblat model.
研究领域:
药学
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物理化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2019
·
IF 2.298
Zhiying Wu,Weiling Li,Ping Yu,Xiaoyu Fan,Hua Sun,Hua Zhao,Yue Zhang
The solubility of marbofloxacin in 12 pure solvents (methanol, ethanol, isopropanol, n-propanol, n-butanol, tert-amyl alcohol, acetonitrile, ethyl acetate, acetone, toluene, tetrahydrofuran, and 1,4-dioxane) at T = 283.15 to 328.15 K and P = 101.3 kPa was measured by a dynamic laser monitoring method. Results of these experiments demonstrate that the solubility of marbofloxacin in those 12 pure solvents increased with the increase of temperature. The experimental results showed that the solubility of marbofloxacin in the pure solvents decreased in the order of tetrahydrofuran > acetone > ethyl acetate > methanol ≈ acetonitrile (before 305.30 K) or > methanol ≈ acetonitrile > ethyl acetate (behind 305.30 K) > 1,4-dioxane > n-butanol > n-propanol > ethanol > tert-amyl alcohol > isopropanol > toluene. The Apelblat model, λh model, and nonrandom two-liquid (NRTL) model were used to correlate with the experimental solubility data. Compared with the λh model and NRTL model, the Apelblat model has a better correlation with the experimental values. The experimental solubility data and the correlation model in this study can be helpful for the related scientific research and scale-up production.
研究领域:
药学
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化学
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DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2016
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IF 2.196
Hao Wu,Jingkang Wang,Yanan Zhou,Nannan Guo,Qi Liu,Shuyi Zong,Ying Bao,Hongxun Hao
The solubility of ethyl vanillin (EVA) in eight pure solvents were determined in different temperature ranges from (273.15 to 318.15) K by a static analytical method. In the temperature ranges investigated, it was found that the solubility of EVA in all the selected solvents increased with the rising of temperature. Furthermore, four thermodynamic models were used to correlate the experimental solubility data and the calculation results showed that selected models can be used to correlate the solubility data with satisfactory accuracy. Finally, the dissolution thermodynamic properties, including dissolution Gibbs energy, dissolution enthalpy and dissolution entropy of EVA in the eight selected solvents were calculated.
研究领域:
物理化学
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热力学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2019
·
IF 2.298
Yuwen Fan,Wenjun Zhu,Yonghong Hu,Wenge Yang,Qiang Xu,Xinxin Liu,Bin Heng
In the study, the solubility of l-serine were measured in eight common pure solvents and binary mixed solvents (acetonitrile + water, isopropanol + water, methanol + water, and acetone + water) from 278.15 to 333.15 K under atmospheric pressure by gravimetric method (acetone was measured from 278.15 to 328.15 K). The solubility of l-serine increases with increasing temperature, and the order in eight common pure solvents is water > acetonitrile > methanol > acetone > ethyl acetate > ethanol > n-butanol > isopropanol. In binary mixed solvents, the solubility of l-serine is dependent on temperature and solvent composition. Also, the solubility of l-serine increases with increasing temperature, and it decreases as the concentration of acetonitrile, isopropanol, methanol, or acetone increases at a constant temperature. The experimental data in eight pure solvents were fitted by the modified Apelblat model, Buchowski–Ksiazaczak λh model. The modified Apelblat equation, combined nearly ideal binary solvent/Redlich–Kister (CNIBS/R–K) model, and Jouyban–Acree model were used to correlate the experimental data in four binary solvents. Among the four models, the modified Apelblat model is more suitable with a higher accuracy than the other three models. The experimental data can be used to optimize the industrial manufacturing process of l-serine.
研究领域:
化学工程
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生物化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
·
IF 2
Shouxiang Jiang,Guangbing Zheng,Xiangyu Sun,Junwei Wang,Haibo Mu,Wenjun Xie,Chengfei Wang,Haoran Li,Xia Jiang,Gengxiu Zheng,Guan Wang
The solubility of paliperidone in 15 pure solvents (methanol, ethanol, i-propanol, n-propanol, n-butanol, n-pentanol, n-hexanol, methyl acetate, ethyl acetate, propyl acetate, butyl acetate, acetone, acetonitrile, tetrahydrofuran, and 1,4-dioxane) was determined using a dynamic laser monitoring method at 0.1 MPa and temperatures ranging from 288.15 to 328.15 K. With increasing temperature, the molar fraction solubility of paliperidone in each solvent also increased. Acetonitrile exhibited the lowest solubility at 288.15 K, whereas 1,4-dioxane showed the highest at 328.15 K. Various models, including the modified Apelblat, Yaws, λh, Wilson, and NRTL models, were applied to correlate and analyze the experimental data. The relative average deviation and root-mean-square deviation indicated strong correlation between experimental and modeled solubility data. Additionally, based on the Wilson model, the thermodynamic analysis of paliperidone dissolution suggested an entropy-driven and spontaneous process, with entropy exerting a greater influence on Gibbs free energy than enthalpy.
研究领域:
药学
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物理化学
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DOI
高影响因子
Russian Journal of Physical Chemistry A
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2020
·Vol. 94
·期 13
·2742-2751
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IF 0.719
Xiaocong Li,Xu Li,Liu Guoji
Abstract The solubility of furaneol in 2-butanol, isopropanol, acetone, cyclohexanone, acetonitrile, 1,4‑dioxane, methyl acetate, n -propyl acetate, chloroform, dichloromethane, and DMF was measured by the equilibrium method under atmospheric pressure at temperatures ranging from 278.15 to 313.15 K. The solubility in experimental pure solvents increased with the increase of temperature. The solubility order of furaneol in selected pure solvents was DMF > chloroform > dichloromethane > 1,4-dioxane > isopropanol > propyl acetate > methyl acetate > cyclohexanone > acetone ≈ 2-butanol > acetonitrile. The experimental data were correlated by four thermodynamic models (Wilson, NRTL, modified Apelblat, and λ h ), all of the models can give a satisfactory correlation. In addition, mixed thermodynamic properties of Gibbs energy, enthalpy and entropy of furaneol in selected solvents were calculated based on Wilson model.
研究领域:
物理化学
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食品科学
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化工工程
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2022
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IF 3.119
Yongjun Wu,Yong Xie,Hongwei Shi
In this work, the mole fraction solubility of rhein in 12 pure solvents including methanol, ethanol, n-propanol, isopropyl alcohol, 1-butanol, isobutyl alcohol, 1,4-dioxane, 2-butanone, cyclohexanone, acetone, acetonitrile, and N,N-dimethylformamide (DMF) at the temperature range from 283.15 K to 323.15 K was studied. The largest mole fraction solubility is observed in 1,4-dioxane (1.450 × 10–3) at 323.15 K, followed by in DMF (6.964 × 10–4), cyclohexanone (4.026 × 10–4), acetone (2.432 × 10–4), 2-butanone (2.009 × 10–4), 1-butanol (5.646 × 10–5), isopropyl alcohol (5.082 × 10–5), n-propanol (4.552 × 10–5), isobutyl alcohol (3.375 × 10–5), ethanol (3.798 × 10–5), methanol (3.083 × 10–5), and acetonitrile (1.655 × 10–5). The solubility first increases and then decreases with the increase of carbon chain length in alcohols. Through the analysis of 1,4-dioxane and DMF properties, the solute molecules should belong to weakly polar compounds, which is also reflected in the alcohols. However, for ketone solvents, the solubility decreases with the decrease of dipolarity/polarizability. This may be caused by the joint action of the solvent cavity term effect and hydrogen bonds. The largest relative average deviation (RAD) from the data is no more than 5%, which suggests that the calculated solubility data using the modified Apelblat model and λh model agreed very well with the experimental ones for each solvent. Compared with the values reported by Cheng and co-workers, there is an increase of 87.61-fold of solubility between 1,4-dioxane and acetonitrile at 323.15 K. Hence, the solubility data achieved in the present work could be very useful for the purification and crystallization of rhein.
研究领域:
药理学
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物理化学
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2018
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IF 2.196
Yongzhao Zhang,Xia Guo,Ping Tang,Jian Xu
2,5-Furandicarboxylic acid (FDCA) serves as a monomer in various polyesters and is often obtained through the oxidation of 5-hydroxymethylfurfural. The solubility data of FDCA are of great value for the reaction process analysis and separation technology. The experimental solubility of FDCA in eight pure solvents (water, methanol, acetonitrile, acetic acid, ethyl acetate, methyl isobutyl ketone (MIBK), 1-butanol, and isobutanol) and two binary solvent systems (water + acetonitrile and water + acetic acid) in the temperature range of 313.15–363.15 K was determined. In pure solvents and binary mixtures, the solubility of FDCA increased with the increasing temperature. The order from largest to smallest solubility in pure solvents was as follows: methanol, 1-butanol, isobutanol, acetic acid, water, MIBK, ethyl acetate, and acetonitrile. The mole fraction of FDCA in binary mixtures increased first and then decreased with the increasing mole fraction of water. The solubility data were correlated with the UNIQUAC model, NRTL model, and WILSON model.
研究领域:
化学工程
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材料科学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2021
·
IF 2.694
Zilong Cui,Jingling Ye,Liang Yao,Zhi Wang,Ting Wang,Yonghong Hu
In this study, the data on solid–liquid equilibrium of l-prolinamide were studied using the gravimetric method. The solubility of l-prolinamide was measured in ten pure solvents (tetrahydrofuran, n-heptane, n-propanol, acetone, acetonitrile, ethyl acetate, N,N-dimethylformamide, n-hexane, cyclohexane, and isopropanol) and three binary solvent mixtures(ethyl acetate + tetrahydrofuran, n-heptane + ethyl acetate, and n-hexane + acetone) in the temperature range of 278.15–323.15 K at atmospheric pressure. The experimental values showed that the solubility increased with the increase of temperature in all solvents. The solubility data in different pure solvents were fitted using the modified Apelblat model and the Buchowski–Ksiazaczak λh model. For the solubility data of three binary solvent mixtures, the modified Apelblat model, the combined nearly ideal binary solvent/Redlich–Kister (CNIBS/R–K) model, and the Jouyban–Acree model were used to fit. In all four models, the modified Apelblat model had a better correlation with the solubility of l-prolinamide weather in pure solvents or binary solvent mixtures. The experimental results showed that n-heptane and n-hexane could be used as antisolvents, which could be used in the purification process of l-prolinamide and guide the large-scale production of many drugs such as Alpelisib in industries.
研究领域:
化学工程
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药物化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2023
·
IF 2.6
Xin Huang,Qiufen Wang,Shouxiang Jiang,Bin Wang,Wenjun Xie,Chengfei Wang,Haoran Li,Guan Wang,Gengxiu Zheng
The solubility of N,N’-oxalyldiglycine (OG) in 11 pure solvents, including methanol, ethanol, n-propanol, isopropyl alcohol, n-butanol, acetonitrile, ethyl acetate, tetrahydrofuran (THF), water, N,N’-dimethylformamide (DMF), and dimethyl sulfoxide (DMSO), and a binary solvent system composed of DMSO and water was measured by a dynamic laser monitoring method with the temperature ranging from 293.15 to 333.15 K. Results of these experiments demonstrated that the solubility of OG in all pure solvents increases with rising temperature. The highest solubility appeared in DMSO while the lowest solubility appeared in ethyl acetate. Besides, the mole fraction solubility of OG in binary solvents increases with increasing content of DMSO. Furthermore, the experimental solubility of OG in pure solvents was correlated with the modified Apelblat, Van’t Hoff, λh, and Wilson models. Four models (Van’t Hoff, CNIBS/R–K, modified Jouyban–Acree, and Wilson) were used for the binary solvents. The Van’t Hoff model best correlates with the experimental values in pure and binary solvents, and the calculated values by the Wilson model have a large deviation from the experimental values.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2020
·
IF 5.065
Tong-wei Zhang,Yong-xiang Li,Duan-lin Cao,Yong-zheng Liu,Jia-yuan He,Cheng-long Zou
In this paper, the solubility of 5,5′-bis(2,4,6-trinitrophenyl)-2,2′-bis(1,3,4-oxadiazole) (TKX-55) was first determined by a dynamic laser monitoring at T = (293.15, 298.15, 303.15, 308.15, 313.15, 318.15, 323.15, 328.15 and 333.15) K in fourteen pure solvents, including nitrobenzene (NB), methylethylketone (MEK), dimethyl carbonate (DMC), N,N-dimethylformamide (DMF), methoxybenzene (MOB), ethenyl acetate (VAC), 1,2-propanediol (PDO), cyclohexanone (CYC), epichlorohydrin (ECH), 1-butanol (NBA), n-butyl acrylate (BA), dimethyl sulfoxide (DMSO), tributyl phosphate (TBP) and 2-butanol (IBA), under atmospheric pressure ( P = 0.1 MPa). Besides, supersolubility as well as the metastable zone width of TKX-55 in PDO, BA, DMSO and IBA was determined by the dynamic laser monitoring method. The experimental results showed that the solubility of TKX-55 in fourteen pure solvents increases with increasing temperature and the metastable zone width decreases with increasing temperature. The metastable zone width is approximately 2.49 K–43.26 K. In addition, in order to improve the applicability of the solubility, the modified Apelblat equation, λh equation, the polynomial empirical equation, van't Hoff equation and NRTL equation were used to correlate the solubility data of TKX-55, and the results showed that all models can give a satisfactory correlation. The average root-mean-square deviation (10 2 RMSD) values were 1.71, 8.91, 2.33, 6.12 and 3.30, respectively. Moreover, Hansen solubility parameter was used for explaining the solubility order of TKX-55 in selected solvents, the consequences showed that solubility order of TKX-55 resulted from the comprehensive function of several solubility parameters. The solubility parameter of Δ δ t between TKX-55 and solvents reached from 1.27 MPa 0.5 to 15.28 MPa 0.5 . Furthermore, three kinds of thermodynamic properties of the mixing enthalpy ( Δ mix H ), the mixing entropy ( Δ mix S ) and the mixing Gibbs energy ( Δ mix G ) of TKX-55 in selected solvents were calculated by NRTL equation and the results turned out that the dissolution process was spontaneous. Besides, thermal properties of TKX-55 were measured by differential scanning calorimetry (DSC). The results showed that the melting temperature and the fusion enthalpy were 640.65 K and 19.60 kJ·mol −1 , respectively. Finally, solubility values and thermodynamic relations of TKX-55 in fourteen pure solvents would be invoked as fundamental data and models regarding the purification process.
研究领域:
化学工程
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爆炸物科学
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物理化学
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高影响因子
危险品化学品经营许可证（带存储）