Calculation of the isobaric heat capacities of the liquid and solid phase of organic compounds at and around 298.15 K based on their “true” molecular volume was written by Naef, Rudolf. And the article was included in Molecules in 2019.Product Details of 106-21-8 The following contents are mentioned in the article:
A universally applicable method for the prediction of the isobaric heat capacities of the liquid and solid phase of mols. at 298.15 K is presented, derived from their “true” volume The mols.’ “true” volume in A3 is calculated on the basis of their geometry-optimized structure and the Van-der-Waals radii of their constituting atoms by means of a fast numerical algorithm. Good linear correlations of the “true” volume of a large number of compounds encompassing all classes and sizes with their exptl. liquid and solid heat capacities over a large range have been found, although noticeably distorted by intermol. hydrogen-bond effects. To account for these effects, the total amount of 1303 compounds with known exptl. liquid heat capacities has been subdivided into three subsets consisting of 1102 hydroxy-group-free compounds, 164 monoalcs./monoacids, and 36 polyalcs./polyacids. The standard deviations for Cp(liq,298) were 20.7 J/mol/K for the OH-free compunds, 22.91 J/mol/K for the monoalcs./monoacids and 16.03 J/mol/K for the polyols/polyacids. Analogously, 797 compounds with known solid heat capacities have been separated into a subset of 555 OH-free compounds, 123 monoalcs./monoacids and 119 polyols/polyacids. The standard deviations for Cp(sol,298) were calculated to 23.14 J/mol/K for the first, 21.62 J/mol/K for the second, and 19.75 J/mol/K for the last subset. A discussion of structural and intermol. effects influencing the heat capacities as well as of some special classes, in particular hydrocarbons, ionic liquids, siloxanes and metallocenes, has been given. In addition, the present method has successfully been extended to enable the prediction of the temperature dependence of the solid and liquid heat capacities in the range between 250 and 350 K. This study involved multiple reactions and reactants, such as 3,7-Dimethyloctan-1-ol (cas: 106-21-8Product Details of 106-21-8).
3,7-Dimethyloctan-1-ol (cas: 106-21-8) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Product Details of 106-21-8
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts