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Journal of Molecular Liquids

Journal of Molecular Liquids

IF: 5.3
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Measurement, correlation, and analysis of the solubility of triethylamine hydrochloride in ten pure solvents

Published:15 November 2023 DOI: 10.1016/j.molliq.2023.123040
Junfeng Teng , Fang Zong , Zhe Zhang , Lili Wang , Xiaoyan Sun , Shuguang Xiang

Abstract

In this work, the solubility of Triethylamine hydrochloride (TEA·HCl) in Ethylene carbonate (EC), Propylene carbonate (PC), Dimethyl carbonate (DMC), Vinylene carbonate (VC), Dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), Methyl isobutyl ketone (MIBK), Methanol, 2-Propanol, 1-Octanol were measured from 293.15?K to 348.15?K under ambient pressure via a static method. Subsequently, the solubility data were correlated with the modified Apelblat Equation, the Van't Hoff Equation, the λh Equation, and the NRTL model. The average relative deviation (ARD), and root-mean-square deviation (RMSD) were introduced to evaluate the correlated data. The findings indicated that, out of the four models, the modified Apelblat model offered the highest correlation. Moreover, using the Van't Hoff Equation, we determined the Gibbs energy, enthalpy, and entropy of TEA·HCl dissolution in each solvent examined, all of which point to a dissolving process that is endothermic and entropy-driven. In the temperature range studied, the solubility of TEA·HCl in selected solvents increased with the rising temperature, and the solubility sequence of TEA·HCl at 298.15?K was Methanol?>?VC?>?2-Propanol?>?EC?>?1-Octanol?>?DMSO?>?PC?>?DMF?>?MIBK?>?DMC. In order to understand how TEA·HCl dissolves, density functional theory (DFT) was used to calculate its molecular electrostatic potential (MEP) and solvation free energy. In the meantime, the KAT-LSER model for studying the solvent impact has been presented. This work will provide valuable data references for the purification of TEA·HCl by crystallization.

Substances (14)

Related products
Procduct Name CAS Molecular Formula Supplier Price
Dimethyl sulfoxide 67-68-5 C2H6OS 1924 suppliers $5.00-$120900.00
Isopropyl alcohol 67-63-0 C3H8O 1763 suppliers $18.00-$7870.00
N,N-Dimethylformamide 68-12-2 C3H7NO 1312 suppliers $11.20-$12200.00
4-Methyl-2-pentanone 108-10-1 C6H12O 978 suppliers $7.62-$6369.96
1-Octanol 111-87-5 C8H18O 928 suppliers $6.00-$3698.34
Methanol 67-56-1 CH4O 895 suppliers $9.00-$7620.00
Dimethyl carbonate 616-38-6 C3H6O3 799 suppliers $5.00-$1610.00
Propylene carbonate 108-32-7 C4H6O3 784 suppliers $6.35-$10140.00
Ethylene carbonate 96-49-1 C3H4O3 622 suppliers $6.00-$1087.00
Triethylamine hydrochloride 554-68-7 C6H16ClN 594 suppliers $6.00-$6760.24

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