Infrared intensities of methyl acetate, an interstellar compound - comparisons of three organic esters

Abstract

The mid-infrared (IR) spectra of the simplest aliphatic esters have been studied in the past in the solid, liquid, and gas phases with an emphasis on vibrational frequencies and peak assignments. However, relatively little has been published on the IR intensities of the amorphous forms of these compounds. These IR intensities are of particular interest to the astrochemical community as they are needed to help quantify laboratory measurements of the formation and destruction of extraterrestrial molecules, including esters. Here we report and compare IR intensities of three organic esters: methyl formate, methyl acetate, and methyl propionate, all studied with the same equipment and procedures. Of these three esters, our main interest is with methyl acetate, for which little quantitative IR work is available. For each ester, we report apparent absorption coefficients and band strengths, and compare them to earlier work. We also have calculated the first IR optical constants for both amorphous and crystalline methyl acetate. We use our new results to measure vapor pressures and a sublimation enthalpy for methyl acetate and to comment on a radiation-chemical experiment with methyl acetate and how it can be better quantified.