Today I want to share an article with you. The article is 《Analysis of Vapor Pressures Using Family Variations: A Case Study of Hexadecanol Isomers》,you can find this article in 《Industrial & Engineering Chemistry Research》. The following contents are mentioned:
Vapor pressure is one of the most important properties needed when designing chem. processes. Exptl. data are preferred; however, predictive methods must be used when data are not available. Even when exptl. data are available, they are often sparse, and the quality needs to be evaluated. In this work, we have used the isomers of hexadecanol (C16H34O) for a vapor-pressure case study, and a database of 33 isomers has been collected. All the isomers are saturated alcs., and the variation in vapor pressure arises from the placement of the alc. (-OH) group and the extent of branching. The recently published modified Trouton method has been used to analyze and evaluate the available data, and a reliable set of b.ps. at the representative vapor pressure of 2 kPa has been developed for the 33 compounds in the study; further, the uncertainty in the 2 kPa b.ps. has been estimated The database used was evaluated to gain insight into the trends of the vapor pressures. Next, three representative approaches were used to test the ability of estimation methods to predict and correlate the data: (1) the Nannoolal group-contribution method; (2) the COSMO-RS quantum-chem. method; and (3) an empirical method based upon structural factors. The study has revealed the nature and extent of vapor-pressure variation with this family of isomers and the ability of existing estimation methods to provide reliable and accurate correlations. The database developed here may also be helpful for related studies, for example, the use of mol. simulation to predict the vapor pressures.2-Hexyl-1-decanol (cas: 2425-77-6) were involved in the experimental procedure.
2-Hexyl-1-decanol(cas: 2425-77-6) is a fatty acid that is found in the essential oils of plants and has been shown to have fungicidal properties.COA of Formula: C16H34O It has also been shown to inhibit the growth of Candida glabrata when used as a cationic surfactant.
Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts