ChemInform Abstract: THERMODYNAMICS OF THE POLYCYCLOTRIMERIZATION OF AROMATIC DICYANATES AND DIISOCYANATES

Abstract

Untersucht wurde die Thermodynamik der Polycyclotrimetisation von 2,2‐Bis‐ (4‐cyanatophenyl)‐propan (I) und 4,4′‐Diphenylmethan‐diisocyanat (II).

The thermodynamics of the isomerization of cyanophenol and cyanothiophenol compounds

“…The enthalpy of formation in the liquid state for the former species is 88.3 ± 0.8 kJ/mol [37], and for the later species it has been reported as − 33.9 ± 1.3 kJ/mol [37], while other authors reported the values, respectively of − 61.1 ± 1.1 kJ/mol [8] and of − 55 kJ/mol [38]. Two values for the gas phase enthalpy of formation are reported in the NIST Data Base [13], respectively, − 14.5 ± 1.2 kJ/mol [8] and − 22.1 kJ/mol [32], with reference [8] giving explicitly the value 46.5 ± 0.3 kJ mol −1 for the enthalpy of vaporization of phenyl isocyanate.…”

Interplay of thermochemistry and Structural Chemistry, the journal (volume 16, 2005) and the discipline

“…We note there is no example in which there are experimentally measured enthalpy of formation data for an isocyanate, cyanate, and fulminate (nitrile oxide) on the same central atom or group from the experimental literature. The case of phenyl comes close where there are data for the isocyanate [158,159], the cyanate [160], and the 2,4,6-trimethyl derivative of the nitrile oxide [161,162]. We also note the theoretical thermochemical study of the phenyl species as well as their sulfur-containing analogs [163].…”

Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 5–6) and the discipline

“…The enthalpy of formation of Mes-CNO is well established [189], but that of its phenyl counterpart is unknown. The enthalpy of formation of MesOCN is unknown, and that of its phenyl counterpart is known only as the liquid [190]. The enthalpy of formation of MesNCO is unknown, but that of its phenyl counterpart has been reported multiple times, the most recent of which [191] differs from an earlier value [192] by approximately 50 kJ mol -1 .…”