A New Neural Network Group Contribution Method for Estimation of Upper Flash Point of Pure Chemicals was written by Gharagheizi, Farhad;Abbasi, Reza. And the article was included in Industrial & Engineering Chemistry Research in 2010.Electric Literature of C10H22O3 The following contents are mentioned in the article:
A new group contribution-based models is presented to predict the upper flash point temperature of pure compounds based on a large dataset (1294). This neural network model uses several occurrences of 122 chem. groups in a pure compound to predict its related upper flash point limit. The model squared correlation coefficient, average percent error, mean average error, and root-mean-square error over the main dataset (1294 pure compounds) were 0.99, 1.7%, 6, and 8.5, resp. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Electric Literature of C10H22O3).
2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Electric Literature of C10H22O3
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem