QSPR Prediction of pKa for benzoic acids in different solvents. QSAR Comb Sci. 2008;27:563-581.JOVER Jꎬ BOSQUE Rꎬ SALES J. QSPR prediction of pKa for benzoic acids in different solvents[ J] . Qsar Comb Sciꎬ 2008ꎬ27 (5) :563-581....
K_b(ethylamine) = 4.3 \times 10^{-4}. What is pKa for ethylammonium? Explain why p-methoxybenzoic acid is a weaker acid than benzoic acid, and why p-chlorobenzoic is a stronger acid. Be sure to include relevant resonance structures. ...
benzoic acid derivativesacidity constantsmixed solventDFT (Density Functional Theory)QSPRThe p K a of some substituted benzoic acid were calculated using three different methods in 50% ethanol/water at 273.15 K with B3LYP/6-31G(d,p) level of calculations. The calculated p K as were compared ...
2. Iterative variable elimination schemes for CoMSA: Application for modeling benzoic acid pKa values. J Chem Inf Model, 2007, 47: 547–556 68 Kim K H, Martin Y C. Substituent effects from 3D structures using comparative molecular field analysis. 1. Electronic effects of substi- tuted ...
Correlation analysis of structures and pKa of benzoic acid derivatives by quantum-chemical descriptors and CoMFA methodQi, YuHuaXu, Lu
pka Table - pKa is an acid dissociation constant used to describe the acidity of a particular molecule. Its value is directly related to the structure of the given compound.
pKa - The pKa value is the negative base -10 logarithm of the acid dissociation constant (Ka) of a solution. The quantitative behavior of acids and bases in solution can be understood only if their pKa values are known. To learn more about Calculation o
For oxygen containing organic compounds this is given: pKa (the negative logarithm of the acid dissociation constant), molecular structures, molar weights, density and melting and boiling points.
Between benzoic acid and acetic acid, which is a stronger acid without looking to pKa value? Why A buffer is prepared by mixing 44.2 mL of 0.209 M NaOH with 141.2 mL of 0.231 M acetic acid. What is the pH of this buffer? (The pKa for acetic acid is 4.75.) ...
Rate coefficients are reported for the reactions at 30掳 of diazodiphenylmethane with benzoic acid and its ortho-substituted derivatives (substituents: Me,... A Buckley,NB Chapman,J Shorter - 《Journal of the Chemical Society B Physical Organic》 被引量: 36发表: 1969年 ...