Structure-Property Correlations: XV. Properties of Phenol Derivatives

被引：0
|
作者：
I. B. Golovanov
S. M. Zhenodarova
机构：
[1] Russian Academy of Sciences,Institute of Theoretical and Experimental Biophysics
来源：
Russian Journal of General Chemistry | 2003年 / 73卷
关键词：
Methyl; Experimental Data; Toxicity; Phenol; Boiling;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Previously proposed structure-property correlation was used to estimate the properties of methyl- and chlorophenols. The calculated boiling points, octanol-water partition coefficients (logP), energies of the lowest unoccupied molecular orbital (ELUMO), and toxicities [log(1/C50)] of mono-, di-, tri-, tetra-, and pentachlorophenols, as well as boiling points of mono-, di-, tri-, tetra-, and pentamethylphenols, agree well with the experimental data.
引用
收藏
页码：1603 / 1607
页数：4
相关论文
共 50 条
  • [1] Structure-property correlations: XV. Properties of phenol derivatives
    Golovanov, IB
    Zhenodarova, SM
    RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2003, 73 (10) : 1603 - 1607
  • [2] STRUCTURE-PROPERTY CORRELATIONS OF A SERIES OF ANTIMALARIAL CHLOROQUINE DERIVATIVES
    MANALLACK, DT
    LIVINGSTONE, DJ
    MONATSHEFTE FUR CHEMIE, 1994, 125 (11): : 1259 - 1266
  • [3] STRUCTURE-PROPERTY CORRELATIONS IN POLYETHYLENETEREPHTHALATE
    ADAMS, WW
    VISWANATHAN, A
    WIFF, DR
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1976, 21 (03): : 374 - 374
  • [4] STRUCTURE-PROPERTY CORRELATIONS AND MICROSTRUCTURAL DESIGN
    GANESAN, V
    JAYAKUMAR, T
    RAGHAVAN, KS
    RAJ, B
    TRANSACTIONS OF THE INDIAN INSTITUTE OF METALS, 1995, 48 (03): : 229 - 236
  • [5] QUANTUM STRUCTURE DIAGRAMS AND STRUCTURE-PROPERTY CORRELATIONS
    PHILLIPS, JC
    JOURNAL OF ALLOYS AND COMPOUNDS, 1993, 197 (02) : 127 - 129
  • [6] STRUCTURE-PROPERTY CORRELATIONS IN CUPRATE SUPERCONDUCTORS
    WHANGBO, MH
    TORARDI, CC
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1991, 202 : 28 - PHYS
  • [7] Structure-property correlations in piracetam polytypes
    Upadhyay, Pratik P.
    Mishra, Manish Kumar
    Ramamurty, Upadrasta
    Bond, Andrew D.
    CRYSTENGCOMM, 2021, 23 (05) : 1226 - 1233
  • [8] Structure-property correlations in acetate glasses
    Donald, Scott B.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231
  • [9] Graph theory in structure-property correlations
    Vinogradova, M. G.
    Fedina, Yu. A.
    Papulov, Yu. G.
    RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 90 (02) : 411 - 416
  • [10] Properties of new orthogonal graph theoretical invariants in structure-property correlations
    Araujo, O
    Morales, DA
    JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1998, 38 (06): : 1031 - 1037
12345