Estimated Thermodynamic Parameters of Nifedipine by Group Contribution Method

Zhao Mingrui; Liu Guangyu

doi:doi:10.11648/j.pst.20230702.12

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Estimated Thermodynamic Parameters of Nifedipine by Group Contribution Method

Zhao Mingrui, Liu Guangyu

Published in Pharmaceutical Science and Technology (Volume 7, Issue 2)

Received: 21 July 2023 Accepted: 23 August 2023 Published: 14 October 2023

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Abstract

Objective: Nifedipine is a calcium channel antagonist of dihydropyridine. There are many methods to synthesize nifedipine, but the yield is not high. In order to find a suitable process for the synthesis and industrialization of nifedipine, thermodynamic Parameters of Nifedipine had been estimated by Group Contribution Method. Methods: the standard molar enthalpy of reaction, standard isobaric heat capacity, residual entropy, the melting temperature and the flash point temperature of nifedipine were estimated by Joback method. Results: The results show that the standard molar reaction enthalpy of Nifedipine was estimated estimated by Joback method is , standard molar isobaric heat capacity is 108800J•mol^-1•K^-1 and residual entropy of nifedipine estimated by Joback method is at 290.15 K and atmospheric pressure which match with the datas of experiment. However the melting temperature and the flash point temperatureof nifedipine was estimated by Joback method is 1074.02 K and 969.98 K seperately, which have large gap between the estamated datas and the reality, and still need to revise. Coclusion: the thermodynamic parameters of nifedipine can be estimated by Joback group contribution method. Its corresponding data will provide essential support for industrial design and further theoretical studies.

Published in	Pharmaceutical Science and Technology (Volume 7, Issue 2)
DOI	10.11648/j.pst.20230702.12
Page(s)	27-32
Creative Commons	This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2024. Published by Science Publishing Group

Keywords

Antihypertensive Drug, Nifedipine, Group Contribution Method, Standard Enthalpy of Formation Method, Joback Method

References

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[6]	Ning Xiao, Jin shaoming, Dong Zhe, et al. Determination of Nifedipine in food and dietary supplement by UPLC-MS [J]. Journal of drug analysis, 2022, 42 (05): 821-830. DOI: 10.16155/J. 0254-1793. 2022. 05. 11.
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APA Style

Zhao Mingrui, Liu Guangyu. (2023). Estimated Thermodynamic Parameters of Nifedipine by Group Contribution Method. Pharmaceutical Science and Technology, 7(2), 27-32. https://doi.org/10.11648/j.pst.20230702.12

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ACS Style

Zhao Mingrui; Liu Guangyu. Estimated Thermodynamic Parameters of Nifedipine by Group Contribution Method. Pharm. Sci. Technol. 2023, 7(2), 27-32. doi: 10.11648/j.pst.20230702.12

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AMA Style

Zhao Mingrui, Liu Guangyu. Estimated Thermodynamic Parameters of Nifedipine by Group Contribution Method. Pharm Sci Technol. 2023;7(2):27-32. doi: 10.11648/j.pst.20230702.12

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@article{10.11648/j.pst.20230702.12,
  author = {Zhao Mingrui and Liu Guangyu},
  title = {Estimated Thermodynamic Parameters of Nifedipine by Group Contribution Method},
  journal = {Pharmaceutical Science and Technology},
  volume = {7},
  number = {2},
  pages = {27-32},
  doi = {10.11648/j.pst.20230702.12},
  url = {https://doi.org/10.11648/j.pst.20230702.12},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.pst.20230702.12},
  abstract = {Objective: Nifedipine is a calcium channel antagonist of dihydropyridine. There are many methods to synthesize nifedipine, but the yield is not high. In order to find a suitable process for the synthesis and industrialization of nifedipine, thermodynamic Parameters of Nifedipine had been estimated by Group Contribution Method. Methods: the standard molar enthalpy of reaction, standard isobaric heat capacity, residual entropy, the melting temperature and the flash point temperature of nifedipine were estimated by Joback method. Results: The results show that the standard molar reaction enthalpy of Nifedipine was estimated estimated by Joback method is , standard molar isobaric heat capacity is 108800J•mol-1•K-1 and residual entropy of nifedipine estimated by Joback method is  at 290.15 K and atmospheric pressure which match with the datas of experiment. However the melting temperature and the flash point temperatureof nifedipine was estimated by Joback method is 1074.02 K and 969.98 K seperately, which have large gap between the estamated datas and the reality, and still need to revise. Coclusion: the thermodynamic parameters of nifedipine can be estimated by Joback group contribution method. Its corresponding data will provide essential support for industrial design and further theoretical studies.},
 year = {2023}
}

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TY  - JOUR
T1  - Estimated Thermodynamic Parameters of Nifedipine by Group Contribution Method
AU  - Zhao Mingrui
AU  - Liu Guangyu
Y1  - 2023/10/14
PY  - 2023
N1  - https://doi.org/10.11648/j.pst.20230702.12
DO  - 10.11648/j.pst.20230702.12
T2  - Pharmaceutical Science and Technology
JF  - Pharmaceutical Science and Technology
JO  - Pharmaceutical Science and Technology
SP  - 27
EP  - 32
PB  - Science Publishing Group
SN  - 2640-4540
UR  - https://doi.org/10.11648/j.pst.20230702.12
AB  - Objective: Nifedipine is a calcium channel antagonist of dihydropyridine. There are many methods to synthesize nifedipine, but the yield is not high. In order to find a suitable process for the synthesis and industrialization of nifedipine, thermodynamic Parameters of Nifedipine had been estimated by Group Contribution Method. Methods: the standard molar enthalpy of reaction, standard isobaric heat capacity, residual entropy, the melting temperature and the flash point temperature of nifedipine were estimated by Joback method. Results: The results show that the standard molar reaction enthalpy of Nifedipine was estimated estimated by Joback method is , standard molar isobaric heat capacity is 108800J•mol-1•K-1 and residual entropy of nifedipine estimated by Joback method is  at 290.15 K and atmospheric pressure which match with the datas of experiment. However the melting temperature and the flash point temperatureof nifedipine was estimated by Joback method is 1074.02 K and 969.98 K seperately, which have large gap between the estamated datas and the reality, and still need to revise. Coclusion: the thermodynamic parameters of nifedipine can be estimated by Joback group contribution method. Its corresponding data will provide essential support for industrial design and further theoretical studies.
VL  - 7
IS  - 2
ER  -

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Author Information

Zhao Mingrui

College of Pharmacy, Henan Medical College, Zhengzhou, China
Liu Guangyu

College of Chemical Engineering, He’nan University of Technology, Zhengzhou, China

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Plain Text BibTeX RIS

APA Style

Zhao Mingrui, Liu Guangyu. (2023). Estimated Thermodynamic Parameters of Nifedipine by Group Contribution Method. Pharmaceutical Science and Technology, 7(2), 27-32. https://doi.org/10.11648/j.pst.20230702.12

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ACS Style

Zhao Mingrui; Liu Guangyu. Estimated Thermodynamic Parameters of Nifedipine by Group Contribution Method. Pharm. Sci. Technol. 2023, 7(2), 27-32. doi: 10.11648/j.pst.20230702.12

Copy | Download

AMA Style

Zhao Mingrui, Liu Guangyu. Estimated Thermodynamic Parameters of Nifedipine by Group Contribution Method. Pharm Sci Technol. 2023;7(2):27-32. doi: 10.11648/j.pst.20230702.12

Copy | Download

@article{10.11648/j.pst.20230702.12,
  author = {Zhao Mingrui and Liu Guangyu},
  title = {Estimated Thermodynamic Parameters of Nifedipine by Group Contribution Method},
  journal = {Pharmaceutical Science and Technology},
  volume = {7},
  number = {2},
  pages = {27-32},
  doi = {10.11648/j.pst.20230702.12},
  url = {https://doi.org/10.11648/j.pst.20230702.12},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.pst.20230702.12},
  abstract = {Objective: Nifedipine is a calcium channel antagonist of dihydropyridine. There are many methods to synthesize nifedipine, but the yield is not high. In order to find a suitable process for the synthesis and industrialization of nifedipine, thermodynamic Parameters of Nifedipine had been estimated by Group Contribution Method. Methods: the standard molar enthalpy of reaction, standard isobaric heat capacity, residual entropy, the melting temperature and the flash point temperature of nifedipine were estimated by Joback method. Results: The results show that the standard molar reaction enthalpy of Nifedipine was estimated estimated by Joback method is , standard molar isobaric heat capacity is 108800J•mol-1•K-1 and residual entropy of nifedipine estimated by Joback method is  at 290.15 K and atmospheric pressure which match with the datas of experiment. However the melting temperature and the flash point temperatureof nifedipine was estimated by Joback method is 1074.02 K and 969.98 K seperately, which have large gap between the estamated datas and the reality, and still need to revise. Coclusion: the thermodynamic parameters of nifedipine can be estimated by Joback group contribution method. Its corresponding data will provide essential support for industrial design and further theoretical studies.},
 year = {2023}
}

Copy | Download

TY  - JOUR
T1  - Estimated Thermodynamic Parameters of Nifedipine by Group Contribution Method
AU  - Zhao Mingrui
AU  - Liu Guangyu
Y1  - 2023/10/14
PY  - 2023
N1  - https://doi.org/10.11648/j.pst.20230702.12
DO  - 10.11648/j.pst.20230702.12
T2  - Pharmaceutical Science and Technology
JF  - Pharmaceutical Science and Technology
JO  - Pharmaceutical Science and Technology
SP  - 27
EP  - 32
PB  - Science Publishing Group
SN  - 2640-4540
UR  - https://doi.org/10.11648/j.pst.20230702.12
AB  - Objective: Nifedipine is a calcium channel antagonist of dihydropyridine. There are many methods to synthesize nifedipine, but the yield is not high. In order to find a suitable process for the synthesis and industrialization of nifedipine, thermodynamic Parameters of Nifedipine had been estimated by Group Contribution Method. Methods: the standard molar enthalpy of reaction, standard isobaric heat capacity, residual entropy, the melting temperature and the flash point temperature of nifedipine were estimated by Joback method. Results: The results show that the standard molar reaction enthalpy of Nifedipine was estimated estimated by Joback method is , standard molar isobaric heat capacity is 108800J•mol-1•K-1 and residual entropy of nifedipine estimated by Joback method is  at 290.15 K and atmospheric pressure which match with the datas of experiment. However the melting temperature and the flash point temperatureof nifedipine was estimated by Joback method is 1074.02 K and 969.98 K seperately, which have large gap between the estamated datas and the reality, and still need to revise. Coclusion: the thermodynamic parameters of nifedipine can be estimated by Joback group contribution method. Its corresponding data will provide essential support for industrial design and further theoretical studies.
VL  - 7
IS  - 2
ER  -

Copy | Download