Molecular modeling of the standard state heat of formation was written by Bagheri, Mehdi;Yerramsetty, Krishna;Gasem, Khaled A. M.;Neely, Brian J.. And the article was included in Energy Conversion and Management in 2013.Application In Synthesis of 2-(2-(Hexyloxy)ethoxy)ethanol The following contents are mentioned in the article:
The standard heat of formation is a basic thermophys. property required in determining enthalpies of reaction and in thermodn. stability analyses. Further, the enthalpies of formation are important in investigating bond energies, resonance energies and the nature of chem. bonds. Therefore, the development of accurate structure-based estimation methods for large varieties of chem. species is greatly beneficial in enhancing capability in process and product development. In this work, quant. structure-property relationship (QSPR) models were developed for a structurally diverse DIPPR dataset of standard heats of formation comprising 1765 pure compounds involving 82 chem. classes. We have employed both linear and nonlinear QSPR modeling techniques. The linear approach involves the use of constricted binary particle swarm optimization (BPSO) for feature selection and multiple-linear regression. In the nonlinear approach, the optimum network architecture and its associated inputs are identified using a wrapper-based feature selection algorithm combining differential evolution and artificial neural networks. Model predictions for the root-mean-square error of the BPSO and nonlinear approaches were 138 and 97 kJ/mol, resp. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Application In Synthesis of 2-(2-(Hexyloxy)ethoxy)ethanol).
2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Application In Synthesis of 2-(2-(Hexyloxy)ethoxy)ethanol
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem