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The Thermodynamics of Chemical Reactions
Published in Juan H. Vera, Grazyna Wilczek-Vera, Classical Thermodynamics of Fluid Systems, 2016
Juan H. Vera, Grazyna Wilczek-Vera
In the production of 1,3-butadiene by dehydrogenation of n-butane, it is expected to find the following chemical species: n-butane, hydrogen, 1,3-butadiene (CH2=CH−CH=CH2 or 1,3−C4H6), and the side products: 1-butene (CH2=CH−CH2−CH3 or 1−C4H8), 2-butene (CH3−CH=CH−CH3 or 2−C4H8), 1,2-butadiene (CH2=C=CH−CH3 or 1,2-C4H6), 1-butyne (CH=C−CH2−CH3 or 1−C4H6), and 2-butyne (CH3−C=C−CH3 or 2−C4H6). Determine the number of independent reactions to be considered when (1) only the above compounds are present at equilibrium and (2) N2 is added as an inert to minimize side reactions.
List of Chemical Substances
Published in T.S.S. Dikshith, and Safety, 2016
1-Butyne is a clear, colorless gas with a characteristic acetylenic odor. It is an extremely flammable and reactive alkyune and may cause frostbite. It is insoluble in water. It is a specialty gas mixture used in organic synthesis of compounds and instrument calibration; it has no specific or significant industrial application. On combustion, 1-butyne releases carbon monoxide.
The 130–360 GHz rotational spectrum of syn-2-cyano-1,3-butadiene (C5H5N) – a molecule of astrochemical relevance
Published in Molecular Physics, 2021
Maria A. Zdanovskaia, Brian J. Esselman, Samuel M. Kougias, Aatmik R. Patel, R. Claude Woods, Robert J. McMahon
More than 200 molecules have been detected in the interstellar medium (ISM) or in circumstellar shells – the majority of these detections via radioastronomy [1,2]. Approximately ten percent of the detected species are organic nitriles, including recent detections of benzonitrile [3], 1- and 2-cyanonaphthalene [4], hydroxyacetonitrile [5], and silyl cyanide [6]. Due to their characteristically strong dipole moments and composition of relatively abundant elements, nitriles (R–CN) represent inviting targets for additional radioastronomical detections. A series of highly unsaturated nitrile-containing carbon chains (HC2n+1N with n = 0–5) have been detected [7–12], as well as several partially unsaturated [13–16] and fully saturated [17–19] organic nitriles. Specifically, the known interstellar molecules vinyl cyanide (C3H3N) [14], cyanoallene (C4H3N) [16], and cyanodiacetylene (C5HN) [7] exhibit structural similarities to the molecule of interest in the current work: 2-cyano-1,3-butadiene (C5H5N) (Figure 1). Our group synthesised and characterised several astrochemically relevant nitriles and isonitriles in order to analyse their rotational spectra [20–23]. Although neither McCarthy et al., who examined the electrical discharge of benzene with molecular nitrogen [24], nor Zwier and coauthors, who examined the gas-phase pyrolysis of 3-pentenenitrile [25], detected 2-cyano-1,3-butadiene among their products, it may nevertheless be considered a likely interstellar molecule. Irradiation of cyanoacetylene with ethylene with 254 nm light, for example, produces 2-cyano-1,3-butadiene [26]. A theoretical study suggested that 2-cyano-1,3-butadiene is a predominant product in the reactions of cyano radical with 1,2-butadiene and cyano radical with 1-butyne [27]. There are, however, no published spectroscopic data available to enable a radioastronomical search for this nitrile.