{"title":"富马酸喹硫平在283.15 ~ 323.15 K范围内12种溶剂和四氢呋喃-水中的溶解度测定及相关性","authors":"Wenfeng Huang, Yufeng Wei, Xiaocong Liu, Ruonan Li, Qiuxiang Yin* and Lihong Jia*, ","doi":"10.1021/acs.jced.5c0010310.1021/acs.jced.5c00103","DOIUrl":null,"url":null,"abstract":"<p >The equilibrium solubility of quetiapine fumarate was determined in twelve individual solvents and one binary solvent mixture by the gravimetric method at atmospheric pressure over a temperature range of 283.15–323.15 K. The results showed that the solubility increases with increasing temperature in all selected solvents. The solubility order is tetrahydrofuran–water (mole fraction of tetrahydrofuran 0.8083) > tetrahydrofuran > <i>n</i>-propanol > dichloromethane > butanone > methyl isobutyl ketone > xylenes > ethyl formate > <i>tert</i>-butyl methyl ether > isopropyl acetate > toluene > hexane ≈ heptane. The modified Apelblat model, λ<i>h</i> model, nonrandom two-liquid model, and van’t Hoff–Jouyban–Acree model were employed to correlate the experimental solubility. The four models provided satisfactory fits, as confirmed by the average relative deviation and the root-mean-square deviation. The modified Apelblat model showed the best performance among them. The accurate solubility data are essential for the design and optimization of the crystallization process of QF.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"2155–2164 2155–2164"},"PeriodicalIF":2.0000,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Solubility Measurements and Correlation of Quetiapine Fumarate in 12 Individual Solvents and Tetrahydrofuran–Water from 283.15 to 323.15 K\",\"authors\":\"Wenfeng Huang, Yufeng Wei, Xiaocong Liu, Ruonan Li, Qiuxiang Yin* and Lihong Jia*, \",\"doi\":\"10.1021/acs.jced.5c0010310.1021/acs.jced.5c00103\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The equilibrium solubility of quetiapine fumarate was determined in twelve individual solvents and one binary solvent mixture by the gravimetric method at atmospheric pressure over a temperature range of 283.15–323.15 K. The results showed that the solubility increases with increasing temperature in all selected solvents. The solubility order is tetrahydrofuran–water (mole fraction of tetrahydrofuran 0.8083) > tetrahydrofuran > <i>n</i>-propanol > dichloromethane > butanone > methyl isobutyl ketone > xylenes > ethyl formate > <i>tert</i>-butyl methyl ether > isopropyl acetate > toluene > hexane ≈ heptane. The modified Apelblat model, λ<i>h</i> model, nonrandom two-liquid model, and van’t Hoff–Jouyban–Acree model were employed to correlate the experimental solubility. The four models provided satisfactory fits, as confirmed by the average relative deviation and the root-mean-square deviation. The modified Apelblat model showed the best performance among them. The accurate solubility data are essential for the design and optimization of the crystallization process of QF.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 5\",\"pages\":\"2155–2164 2155–2164\"},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2025-04-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical & Engineering Data\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.jced.5c00103\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.5c00103","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Solubility Measurements and Correlation of Quetiapine Fumarate in 12 Individual Solvents and Tetrahydrofuran–Water from 283.15 to 323.15 K
The equilibrium solubility of quetiapine fumarate was determined in twelve individual solvents and one binary solvent mixture by the gravimetric method at atmospheric pressure over a temperature range of 283.15–323.15 K. The results showed that the solubility increases with increasing temperature in all selected solvents. The solubility order is tetrahydrofuran–water (mole fraction of tetrahydrofuran 0.8083) > tetrahydrofuran > n-propanol > dichloromethane > butanone > methyl isobutyl ketone > xylenes > ethyl formate > tert-butyl methyl ether > isopropyl acetate > toluene > hexane ≈ heptane. The modified Apelblat model, λh model, nonrandom two-liquid model, and van’t Hoff–Jouyban–Acree model were employed to correlate the experimental solubility. The four models provided satisfactory fits, as confirmed by the average relative deviation and the root-mean-square deviation. The modified Apelblat model showed the best performance among them. The accurate solubility data are essential for the design and optimization of the crystallization process of QF.
期刊介绍:
The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.