Some low molecular weight alcohols of industrial importance are produced by the addition of water to alkenes. 647-42-7, formula is C8H5F13O, Ethanol, isopropanol, 2-butanol, and tert-butanol are produced by this general method. Two implementations are employed, the direct and indirect methods. Formula: C8H5F13O
Egert, Thomas;Langowski, Horst-Christian research published 《 Linear solvation energy relationships (LSERs) for robust prediction of partition coefficients between low density polyethylene and water. Part I: Experimental partition coefficients and model calibration》, the research content is summarized as follows. When equilibrium of leaching is reached within a product′s duty cycle, partition coefficients polymer/solution dictate the maximum accumulation of a leachable and thus, patient exposure by leachables. Yet, in the pharmaceutical and food industry, exposure estimates based on predictive modeling typically rely on coarse estimations of the partition coefficient, with accurate and robust models lacking. This first part of the study aimed to investigate linear solvation energy relationships (LSERs) as high performing models for the prediction of partition coefficients polymer/water. For this, partition coefficients between low d. polyethylene (LDPE) and aqueous buffers for 159 compounds spanning a wide range of chem. diversity, mol. weight, vapor pressure, aqueous solubility and polarity (hydrophobicity) were determined and complimentary data collected from the literature (n=159, MW: 32 to 722, logKi,O/W: -0.72 to 8.61 and logKi,LDPE/W: -3.35 up to 8.36). The chem. space represented by this compounds set is considered indicative for the universe of compounds potentially leaching from plastics. Based on the dataset for the LDPE material purified by solvent extraction, a LSER model for partitioning between LDPE and water was calibrated to give:logKi,LDPE/W = – 0.529 + 1.098Ei – 1.557Si – 2.991Ai – 4.617Bi + 3.886Vi. The model was proven accurate and precise (n = 156, R2 = 0.991, RMSE = 0.264). Further, it was demonstrated superior over a log-linear model fitted to the same data. Nonetheless, it could be shown that log-linear correlations against logKi,O/W can be of value for the estimation of partition coefficients for nonpolar compounds exhibiting low hydrogen-bonding donor and/or acceptor propensity. For nonpolar compounds, the log – linear model was found as: logKi,LDPE/W = 1.18logKi,O/W – 1.33 (n = 115, R2 = 0.985, RMSE=0.313). In contrast, with mono-/bipolar compounds included into the regression data set, an only weak correlation was observed (n= 156, R2 = 0.930, RMSE = 0.742) rendering the log-linear model of more limited value for polar compounds Notably, sorption of polar compounds into pristine (non-purified) LDPE was found to be up to 0.3 log units lower than into purified LDPE. To identify maximum (i.e. worst-case) levels of leaching in support of chem. safety risk assessments on systems attaining equilibrium before end of shelf-life, it appears adequate to utilize LSER – calculated partition coefficients (in combination with solubility data) by ignoring any kinetical information.
647-42-7, 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol, also known as 1H,1H, 2H, 2H-Tridecafluoro-1-n-octanol , is a useful research compound. Its molecular formula is C8H5F13O and its molecular weight is 364.1 g/mol. The purity is usually 95%.
1H,1H, 2H, 2H-Tridecafluoro-1-n-octanol is a material used to improve nanotube composites. It is also used in the synthesis of a recyclable fluorous hydrazine carbothioate compound with NCS to catalyze the acetalization of aldehydes.
1H,1H,2H,2H-Tridecafluoro-1-n-octanol is a potent and selective halogenated hydrocarbon. It binds to DNA at the dinucleotide phosphate site, which is an important site for polymerase chain reaction (PCR) activation. 1HFN has been shown to be more effective than other halogenated hydrocarbons in vitro assays on rat liver microsomes. It has been used as an additive in wastewater treatment to remove organic contaminants and metal ions. In vivo studies have been carried out in CD-1 mice to determine the effects of 1HFN on the liver and kidneys; these studies showed no toxicological effects on these organs. 1HFN also has been shown to inhibit enzymes such as cytochrome P450 and monoamine oxidase B that are involved in drug metabolism and may lead to adverse reactions with drugs metabolized by these enzymes., Formula: C8H5F13O
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts