Various group contribution methods and thermodynamic correlating equations were used to develop physlcai and thermodynamic properties for 28 branched isomeric C, , unsaturated aldehydes and 28 isomeric Clb amines derived from these aldehydes, the majority of which represent novel compositions. The particular properties that were derived include normal boiling temperatures, critical constants, vapor pressures, liquid densities, liquid heat Capacities, and various ideal gas properties. Vapor pressures, liquid densitles, and iiquld heat capacities for 2-pentyinonenai, 24 1,2-dimethyipropyl)-5,6-dimethyiheptenai, and N,N-dimethyi-2-pentyinonyiamine, which represent the least and most highly branched compounds, were experimentally measured and interpreted by using various correlating equations. The experimental resuits were in good agreement with most of the independently derived properties, which supports the accuracy of the estimation technlques and their utility for engineering applications involving these compounds.
I ntroductionSeveral new approaches have recently been proposed ( 7 ) for generating low cost detergent hydrophobes that are novel compositions. These approaches couple conventional oxo olefin hydroformylation process technology with condensationdehydration of the resuklng saturated aldehydes via a so-called oxo-aldol synthesis to produce long-chain (e.g., n = 8-20) unsaturated branched aldehydes (enals) as process chemical intermediates. These enal intermediates can then be used to produce additional novel compositions such as long-chain alcohols, amines, amine oxides, and quaternary salts, to name a few, in additional process steps. Of particular interest in this work is development of physical properties for the CI4 unsaturated aldehydes and c16 saturated amines produced by the three oxo-aldol-reductive amination reaction sequences A-C. CeHiz + CO Hz C6H13CHO ( A ) 2C6Hi3CHO -C~H~~-CH=C-CEH,~ + H2O ( 6 )