TY - JOUR
T1 - Solubility Determination and Thermodynamic Model Analysis of Adefovir in Different Solvents from 278.15 to 328.15 K
AU - Meng, Xianteng
AU - Yan, Haijun
AU - Yang, Wenge
AU - Hu, Yonghong
N1 - Publisher Copyright:
© 2024 American Chemical Society.
PY - 2024/5/9
Y1 - 2024/5/9
N2 - In this experiment, we used eight pure solvents and three binary solvents to measure the solubility data of adefovir (AF) in the temperature range of 278.15-323.15 K. To ensure the accuracy of these data, we employed thermodynamic models to fit the data and assess their accuracy. We observed that the solubility of adefovir in all solvents increased with the temperature. Among the pure solvents, DMF exhibited the highest solubility of adefovir, while the solubility of adefovir in toluene was the lowest. The solubility of adefovir improved as the positive solvent’s molar fraction increased in the binary solvent mixtures. All five models effectively fitted the solubility data, and the reliability of the results was confirmed by comparing the relative average deviation (RAD) and the root-mean-square deviation (RMSD) for each model. In conclusion, the modified Apelblat model was found to be more effective for pure solvents, while the CNIBS/R-K model demonstrated superior performance for binary solvents. Additionally, analysis of the pure solvent parameters using the KAT-LSER model revealed that the hydrogen bonding alkalinity of the solvents was the main factor influencing the solubility of adefovir in the solvent.
AB - In this experiment, we used eight pure solvents and three binary solvents to measure the solubility data of adefovir (AF) in the temperature range of 278.15-323.15 K. To ensure the accuracy of these data, we employed thermodynamic models to fit the data and assess their accuracy. We observed that the solubility of adefovir in all solvents increased with the temperature. Among the pure solvents, DMF exhibited the highest solubility of adefovir, while the solubility of adefovir in toluene was the lowest. The solubility of adefovir improved as the positive solvent’s molar fraction increased in the binary solvent mixtures. All five models effectively fitted the solubility data, and the reliability of the results was confirmed by comparing the relative average deviation (RAD) and the root-mean-square deviation (RMSD) for each model. In conclusion, the modified Apelblat model was found to be more effective for pure solvents, while the CNIBS/R-K model demonstrated superior performance for binary solvents. Additionally, analysis of the pure solvent parameters using the KAT-LSER model revealed that the hydrogen bonding alkalinity of the solvents was the main factor influencing the solubility of adefovir in the solvent.
UR - http://www.scopus.com/inward/record.url?scp=85189894792&partnerID=8YFLogxK
U2 - 10.1021/acs.jced.3c00700
DO - 10.1021/acs.jced.3c00700
M3 - 文章
AN - SCOPUS:85189894792
SN - 0021-9568
VL - 69
SP - 1948
EP - 1956
JO - Journal of Chemical and Engineering Data
JF - Journal of Chemical and Engineering Data
IS - 5
ER -