Enthalpies of combustion of 18 organic sulfur compounds related to petroleum

Abstract

Enthalpies of combustion measured by rotating-bomb combustion calorimetry are given for 18 organic sulfur compounds including thiols, sulfides, thiophenes, and a disulfide selected for a comprehensive study of their thermodynamic properties. Values of the enthalpy of formation of the condensed phase are derived. Enthalpies of vaporization and enthalpies of formation in the gaseous state are derived for 15 of the compounds. Values of enthalpy of atomization are compared with values predicted by a correlation procedure.

Revisiting dibenzothiophene thermochemical data: Experimental and computational studies

“…Our value, D f H m ðcr;298:15 KÞ ¼ ð118:1 AE 4:5Þ kJ Á mol À1 , is in excellent agreement with the value obtained by Good [13] but differs by $14 kJ Á mol À1 from that determined by Sabbah and Antipine [16]. This is most probably due to the fact that the latter authors used samples with masses much smaller than those used in this study and also in the work of Good [13].…”

“…The value (104.2 ± 4.5) kJ Á mol À1 determined with a rotating microbomb combustion calorimeter by Sabbah and Antipine a decade later [16] and the reviewed value indicated in the compilation of thermochemical data due to Pedley et al (120 ± 1.4) kJ Á mol À1 [24]. Our value, D f H m ðcr;298:15 KÞ ¼ ð118:1 AE 4:5Þ kJ Á mol À1 , is in excellent agreement with the value obtained by Good [13] but differs by $14 kJ Á mol À1 from that determined by Sabbah and Antipine [16]. This is most probably due to the fact that the latter authors used samples with masses much smaller than those used in this study and also in the work of Good [13].…”

“…Good [13] reported the value 120.3 kJ Á mol À1 after combustion experiments performed in a rotating bomb combustion calorimeter. The value (104.2 ± 4.5) kJ Á mol À1 determined with a rotating microbomb combustion calorimeter by Sabbah and Antipine a decade later [16] and the reviewed value indicated in the compilation of thermochemical data due to Pedley et al (120 ± 1.4) kJ Á mol À1 [24].…”

“…Dibenzothiophene is considered as a S-containing polyaromatic ''key" compound, and probably this is one of the reasons for the considerable number of thermochemical and thermophysical studies published in the literature for this compound since the 1970s [12][13][14][15][16][17][18][19][20][21][22][23][24][25]. Table 1 contains a compilation of data available in the literature for dibenzothiophene, namely values of the enthalpy of sublimation, D g cr H m , and values of the enthalpies of formation, in the crystalline, D f H m ðcrÞ, and gaseous, D f H m ðgÞ, phases, at T = 298.15 K. Despite the strong efforts done for the fulfillment of the gaps on the thermodynamic properties of dibenzothiophene, the analysis of the values shown in table 1 allows one to detect that some results are of questionable reliability, as can be discerned by the large disagreement among the results determined by different groups.…”

Interplay of thermochemistry and Structural Chemistry, the journal (volume 18, 2007) and the discipline

“…The next article, by Jarak et al [51], is a report on the synthesis and characterization of some new substituted anilides of benzo[b]thiophene for the purpose of examining the influence of different substituents and amide stereochemistry on antitumor activity [52,53] of various classes of anilides. Whereas the enthalpy of formation of the parent heterocycle has been measured [54], no data exists for any derivative save the sulfone [55]. Likewise, there is contemporary enthalpy of formation data for benzanilide [56] but for none for any of its derivatives, either.…”