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
  • [21] Platform of possibilities: Polyphosphazenes' structure-property correlations and applications
    Li, Zhongjing
    Allcock, Harry
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
  • [22] Chemistry of naphthazarin derivatives: XV. Bromination of naphthazarin and its derivatives
    Pokhilo, N. D.
    Yakubovskaya, A. Ya.
    Glazunov, V. P.
    RUSSIAN JOURNAL OF ORGANIC CHEMISTRY, 2011, 47 (04) : 504 - 509
  • [23] Insights on Structure-Property Correlations by Advanced Characterization Techniques
    Sachan, Ritesh
    Tomar, Vikas
    JOM, 2018, 70 (04) : 448 - 449
  • [24] Structure-property correlations in a combinatorial library of degradable biomaterials
    Brocchini, S
    James, K
    Tangpasuthadol, V
    Kohn, J
    JOURNAL OF BIOMEDICAL MATERIALS RESEARCH, 1998, 42 (01): : 66 - 75
  • [25] QUANTITATIVE CORRELATIONS OF STRUCTURE-PROPERTY FOR HEATS OF FORMATION OF NITRENES
    ORLOV, YD
    LEBEDEV, YA
    KRESTOV, GA
    DOKLADY AKADEMII NAUK, 1994, 338 (06) : 776 - 778
  • [26] Structure-Property Correlations in Microwave Joining of Inconel 718
    Bansal, Amit
    Sharma, Apurbba Kumar
    Kumar, Pradeep
    Das, Shantanu
    JOM, 2015, 67 (09) : 2087 - 2098
  • [27] Structure-property correlations in bending and brittle organic crystals
    Reddy, C. Malla
    Padmanabhan, K. Anantha
    Desiraju, Gautam R.
    CRYSTAL GROWTH & DESIGN, 2006, 6 (12) : 2720 - 2731
  • [28] Graph-theoretic approach to structure-property correlations
    Vinogradova, MC
    Papulov, YG
    Smolyakov, VM
    Saltykova, MN
    ZHURNAL FIZICHESKOI KHIMII, 1996, 70 (04): : 675 - 680
  • [29] The Structure-Property Correlations in Dry Gelatin Adhesive Films
    Mosleh, Yasmine
    de Zeeuw, Willem
    Nijemesland, Marlies
    Bijleveld, Johan C.
    van Duin, Paul
    Poulis, Johannes A.
    ADVANCED ENGINEERING MATERIALS, 2021, 23 (01)
  • [30] Chemistry of naphthazarin derivatives: XV. Bromination of naphthazarin and its derivatives
    N. D. Pokhilo
    A. Ya. Yakubovskaya
    V. P. Glazunov
    Russian Journal of Organic Chemistry, 2011, 47
12345