Klein, Tobias;Lenahan, Frances D.;Kerscher, Manuel;Rausch, Michael H.;Economou, Ioannis G.;Koller, Thomas M.;Froeba, Andreas P. published 《Characterization of Long Linear and Branched Alkanes and Alcohols for Temperatures up to 573.15 K by Surface Light Scattering and Molecular Dynamics Simulations》 in 2020. The article was appeared in 《Journal of Physical Chemistry B》. They have made some progress in their research.HPLC of Formula: 2425-77-6 The article mentions the following:
This work contributes to the characterization of long linear and branched alkanes and alcs. via the determination of their thermophys. properties up to temperatures of 573.15 K. For this, exptl. techniques including surface light scattering (SLS) and mol. dynamics (MD) simulations were used under equilibrium conditions to analyze the influences of chain length, branching, and hydroxylation on liquid d., liquid viscosity, and surface tension. For probing these effects, 12 pure model systems given by the linear alkanes n-dodecane, n-hexadecane, n-octacosane, n-triacontane, and n-tetracontane, the linear alcs. 1-dodecanol, 1-hexadecanol, and 1,12-dodecanediol, the branched alkanes 2,2,4,4,6,8,8-heptamethylnonane (HMN) and 2,6,10,15,19,23-hexamethyltetracosane (squalane), and the branched alcs. 2-butyl-1-octanol and 2-hexyl-1-decanol were investigated at or close to saturation conditions at temperatures between 298.15 and 573.15 K. Based on the exptl. results for the liquid densities, liquid viscosities, and surface tensions with average expanded uncertainties (k = 2) of 0.061, 2.1, and 2.6%, resp., the performance of the three commonly employed force fields (FFs) TraPPE, MARTINI, and L-OPLS was assessed in MD simulations. To improve the simulation results for the best-performing all-atom L-OPLS FF at larger temperatures, a modified version was suggested. This incorporates a temperature dependence for the energy parameters of the Lennard-Jones potential obtained by calibrating only against the exptl. liquid d. data of n-dodecane. By transferring this approach to all other systems studied, the modified L-OPLS FF shows now a distinctly better representation of the equilibrium and transport properties of the long alkanes and alcs., especially at high temperatures And 2-Hexyl-1-decanol (cas: 2425-77-6) was used in the research process.
2-Hexyl-1-decanol(cas: 2425-77-6) has been shown to inhibit the growth of b16 mouse melanoma cells, suggesting it may be useful for treating skin cancer.HPLC of Formula: 2425-77-6 This fatty acid also has transport properties and can form hydrogen bonds with other molecules.
Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts