Pure component properties from group contribution: Hydrogen-bond basicity, hydrogen-bond acidity, Hildebrand solubility parameter, macroscopic surface tension, dipole moment, refractive index and dielectric constant

2005 ◽  
Vol 231 (1) ◽  
pp. 27-37 ◽  
Author(s):  
T.J. Sheldon ◽  
C.S. Adjiman ◽  
J.L. Cordiner
1984 ◽  
Vol 62 (2) ◽  
pp. 361-362 ◽  
Author(s):  
Jean-Claude Bollinger ◽  
Germaine Yvernault ◽  
Théophile Yvernault ◽  
Raymond Houriet

Physical constants (density, refractive index, viscosity, dielectric constant, dipole moment, solubility parameter) and some basicity parameters (donor number, proton chemical shift variation for CHCl3, gas phase basicity) have been determined for 3,3′-oxydipropionitrile (ODPN) at 25 °C. These results are compared with those for other usual solvents; they permit an explanation of its properties as a solvent for acid–base titrations, and the appearance of homohydrogen bonding in this medium.


1975 ◽  
Vol 30 (3) ◽  
pp. 287-291 ◽  
Author(s):  
I. Gryczyński ◽  
A. Kawski

A variation of the temperature changes the static dielectric constant (ε) and the refractive index (n) of solvents and, in conjunction with the measurement of solvent shifts of absorption and fluorescence maxima, allows the investigation of dipole moment changes of solutes in the excited state. For this purpose, investigations of the temperature dependences of ε and n of some pure and mixed solvents of different polarities have been made. It is found that the excited dipole moments of indole, 1,2-dimethylindole, 2,3-dimethylindole and tryptophan obtained from the shifts of the fluorescence maxima in mixed solvents at high temperatures are in good agreement with those obtained in other ways.


2002 ◽  
Vol 18 (12) ◽  
pp. 1357-1360 ◽  
Author(s):  
In-Whan KIM ◽  
Myung Duk JANG ◽  
Young Kyun RYU ◽  
Eun Hee CHO ◽  
Young Kyu LEE ◽  
...  

1936 ◽  
Vol 9 (2) ◽  
pp. 296-300
Author(s):  
Shû Kambara

Abstract Natural rubber was purified by Pummerer's method and was dissolved in benzene and ether. The dielectric constant, refractive index, density, and concentration of the solutions were determined. From these data, the molecular polarization and dipole moment were calculated on the assumption that the rubber was dissolved in a molecular state of (C5H8)8. The dipole moments of total and gel rubber were found to be 2.45 and 2.91 × 10−18, respectively. These values are of the same order of magnitude as those of masticated crude rubber obtained by Ostwald. It may be said that the impurities of rubber are interlocked mechanically on the rubber molecule and are not combined chemically. Sol rubber in ether solution shows a far lower value than the values of total and gel rubber. These latter values may be influenced by autoöxidation, and the true value of the rubber hydrocarbon may be far smaller than the result described in this paper.


2018 ◽  
Vol 20 (1) ◽  
pp. 206-213 ◽  
Author(s):  
C. Florindo ◽  
A. J. S. McIntosh ◽  
T. Welton ◽  
L. C. Branco ◽  
I. M. Marrucho

Kamlet Taft solvatochromic parameters, namely the hydrogen-bond acidity, hydrogen-bond basicity and dipolarity/polarizability and ETN parameters of a wide range of DESs composed of cholinium chloride, dl-menthol and a quaternary ammonium salt ([N4444]Cl), and corresponding ILs are here presented.


2013 ◽  
Vol 67 (5) ◽  
Author(s):  
Ali Farajtabar ◽  
Farrokh Gharib

AbstractThe deprotonation of 5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one (naringenin) was studied in aqueous solutions of ethanol and 0.1 mol L−1 sodium perchlorate at 25°C. The chemical species that contributed to deprotonation were evaluated together with their pure spectral characteristics and concentration profiles by some chemometric methods. The deprotonation constants assigned by pK 1, pK 2, and pK 3 were determined by multivariate curve analysis of spectral data at different pcH values. The pure spectral analysis concordant with the theoretical prediction of deprotonation constants indicates that the acidity of hydroxyl groups in naringenin decreases in the order: 7-OH, 4′-OH, 5-OH. The effects of the solvent on deprotonation were analysed in terms of the linear solvation energy relationships using the model of Kamlet, Abboud, and Taft (KAT). Multiple linear regressions were aimed towards correlating the deprotonation constants with the microscopic parameters containing hydrogen-bond acidity (α), dipolarity/polarisability (π*), and hydrogen-bond basicity (β). The most significant parameter was found to be the hydrogen-bond acidity of binary mixtures.


2002 ◽  
Vol 452 ◽  
pp. 163-187 ◽  
Author(s):  
C. L. BURCHAM ◽  
D. A. SAVILLE

A liquid bridge is a column of liquid, pinned at each end. Here we analyse the stability of a bridge pinned between planar electrodes held at different potentials and surrounded by a non-conducting, dielectric gas. In the absence of electric fields, surface tension destabilizes bridges with aspect ratios (length/diameter) greater than π. Here we describe how electrical forces counteract surface tension, using a linearized model. When the liquid is treated as an Ohmic conductor, the specific conductivity level is irrelevant and only the dielectric properties of the bridge and the surrounding gas are involved. Fourier series and a biharmonic, biorthogonal set of Papkovich–Fadle functions are used to formulate an eigenvalue problem. Numerical solutions disclose that the most unstable axisymmetric deformation is antisymmetric with respect to the bridge’s midplane. It is shown that whilst a bridge whose length exceeds its circumference may be unstable, a sufficiently strong axial field provides stability if the dielectric constant of the bridge exceeds that of the surrounding fluid. Conversely, a field destabilizes a bridge whose dielectric constant is lower than that of its surroundings, even when its aspect ratio is less than π. Bridge behaviour is sensitive to the presence of conduction along the surface and much higher fields are required for stability when surface transport is present. The theoretical results are compared with experimental work (Burcham & Saville 2000) that demonstrated how a field stabilizes an otherwise unstable configuration. According to the experiments, the bridge undergoes two asymmetric transitions (cylinder-to-amphora and pinch-off) as the field is reduced. Agreement between theory and experiment for the field strength at the pinch-off transition is excellent, but less so for the change from cylinder to amphora. Using surface conductivity as an adjustable parameter brings theory and experiment into agreement.


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