Enthalpies of combustion of triphenylphosphine and triphenylphosphine oxide

Benson group additivity values of phosphines and phosphine oxides: Fast and accurate computational thermochemistry of organophosphorus species

“…However, a critical review of the original reports revealed that many of these values were in fact, either partially of fully, based on theoretical estimates such as the Franklin's group equivalence method, or derived using ionization potentials that had error estimates in the order of tens of kJ mol −1 . Thus, only nine values of enthalpies of formation were left that could be considered both empirical and accurate enough to be useful for evaluating the performance of the chosen computational methods to calculate standard enthalpies of formation of phosphines and phosphine oxides …”

Enthalpy of combustion of acetylsalicylic acid

“…(9,10) The program was revised by G. T. Armstrong, (11) and Kirklin and Domalski, (12) according to the methods of Hubbard et al (13) The calculations required some auxiliary data. The molar mass of aspirin is 180.15742 g · mol −1 and is based on the 1995 table of international atomic weights.…”

Enthalpy of formation of triphenylphosphine sulfide

“…For each phase individually, let us assume that CB-(PS) is equal to the CB-(P) group contribution values derived earlier in Ref. 5 …”

“…Calculations were done to reduce the experimental results to the standard state using a computer program originally written by Shomate [8,9] and later revised by Armstrong [10] and by Kirklin and Domalski [5]. The general methods have been described by Hubbard, Scott, and Waddington [11].…”

“…We are involved in obtaining enthalpies of formation of organic phosphorus compounds that have small uncertainties associated with them and can be used to derive reliable estimation parameters for the second-order group additivity method. Enthalpies of formation have been measured at the National Institute of Standards and Technology (NIST) for a few organic phosphorus compounds, namely triphenylphosphine, trimethylphosphine oxide, and triphenylphosphate [5,6]. Enthalpies of combustion and formation for triphenylphosphine sulfide are reported herein.…”