Quantitative structure-property relationship: XXII. Polycyclic aromatic hydrocarbons

被引：0
|
作者：
Golovanov, IB [1 ]
Zhenodarova, SM [1 ]
机构：
[1] Russian Acad Sci, Inst Theoret & Expt Biophys, Pushchino 142292, Moscow Oblast, Russia
来源：
RUSSIAN JOURNAL OF GENERAL CHEMISTRY | 2005年 / 75卷 / 11期
关键词：
D O I：
10.1007/s11176-005-0511-8
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The previously suggested quantitative structure-property relationship was applied to estimating the properties of polycyclic aromatic hydrocarbons containing from two to six benzene rings fused in various modes. For these compounds, the boiling points, retention indices, and distribution factors in the octanol-water system were calculated. The results obtained are well consistent with the experimental data.
引用
收藏
页码：1790 / 1794
页数：5
相关论文
共 50 条
  • [1] Quantitative Structure-Property Relationship: XXII. Polycyclic Aromatic Hydrocarbons
    I. B. Golovanov
    S. M. Zhenodarova
    [J]. Russian Journal of General Chemistry, 2005, 75 : 1790 - 1794
  • [2] Quantitative Structure-Property Relationships for the Electronic Properties of Polycyclic Aromatic Hydrocarbons
    Nguyen, Lam H.
    Truong, Thanh N.
    [J]. ACS OMEGA, 2018, 3 (08): : 8913 - 8922
  • [3] Quantitative structure-property relationship studies on direct photolysis of selected polycyclic aromatic hydrocarbons in atmospheric aerosol
    Chen, JW
    Quan, X
    Yan, Y
    Yang, FL
    Peijnenburg, WJGM
    [J]. CHEMOSPHERE, 2001, 42 (03) : 263 - 270
  • [4] Toward Quantitative Structure-Property Relationships for Charge Transfer Rates of Polycyclic Aromatic Hydrocarbons
    Misra, Milind
    Andrienko, Denis
    Baumeier, Bjoern
    Faulon, Jean-Loup
    von Lilienfeld, O. Anatole
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2011, 7 (08) : 2549 - 2555
  • [5] Application of different quantum chemical hamiltonians in developing quantitative structure-property relationship (QSPR) for photolysis of polycyclic aromatic hydrocarbons
    Chen, Jing-wen
    Wang, Shuai-jie
    Zou, Shan-wei
    Quan, Xie
    Xue, Da-ming
    Zhao, Ya-zhi
    [J]. Zhongguo Huanjing Kexue/China Environmental Science, 1999, 19 (02): : 102 - 105
  • [6] Quantitative structure-property relationships for direct photolysis quantum yields of selected polycyclic aromatic hydrocarbons
    Chen, JW
    Peijnenburg, WJGM
    Quan, X
    Yang, FL
    [J]. SCIENCE OF THE TOTAL ENVIRONMENT, 2000, 246 (01) : 11 - 20
  • [7] Polycyclic aromatic hydrocarbons Part XXII
    Hewett, CL
    [J]. JOURNAL OF THE CHEMICAL SOCIETY, 1940, : 293 - 303
  • [8] Machine Learning-Based Quantitative Structure-Property Relationships for the Electronic Properties of Cyano Polycyclic Aromatic Hydrocarbons
    Nguyen, Tuan H.
    Le, Khang M.
    Nguyen, Lam H.
    Truong, Thanh N.
    [J]. ACS OMEGA, 2023, 8 (01): : 464 - 472
  • [9] Prediction of Aqueous Solubility of Hydrocarbons Using A Quantitative Structure-Property Relationship
    Wang Keqiang(Department of Chemistry
    [J]. 南都学坛, 1998, (03) : 41 - 44
  • [10] Quantitative structure-property relationship (QSPR) study to predict retention time of polycyclic aromatic hydrocarbons using the random forest and artificial neural network methods
    Moona Emrarian
    Mahmoud Reza Sohrabi
    Nasser Goudarzi
    Fariba Tadayon
    [J]. Structural Chemistry, 2020, 31 : 1281 - 1288
12345