Wv. Steele et al., THERMODYNAMIC PROPERTIES AND IDEAL-GAS ENTHALPIES OF FORMATION FOR DICYCLOHEXYL SULFIDE, DIETHYLENETRIAMINE, DI-N-OCTYL SULFIDE, DIMETHYL CARBONATE, PIPERAZINE, HEXACHLOROPROP-1-ENE, TETRAKIS(DIMETHYLAMINO)ETHYLENE, N,N'-BIS-(2-HYDROXYETHYL)ETHYLENEDIAMINE, AND 1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE, Journal of chemical and engineering data, 42(6), 1997, pp. 1037-1052
This paper reports measurements made for DIPPR Research Project 871 in
the 1993 Project Year. The results of the study are aimed at improvem
ent of group-contribution methodology for estimation of thermodynamic
properties of organic substances. Specific weaknesses where particular
group-contribution terms were unknown, or estimated because of lack o
f experimental data, are addressed by experimental studies of enthalpi
es of combustion in the condensed phase, vapor-pressure measurements,
and differential scanning calorimetric (DSC) heat-capacity measurement
s. Ideal-gas enthalpies of formation of hexachloroprop-1-ene, N,N'-bis
(2-hydroxyethyl)ethylenediamine, dimethyl carbonate, di-n-octyl sulfid
e, dicyclohexyl sulfide, diethylenetriamine, tetrakis(dimethylamino)et
hylene, piperazine, and 1,2,4-triazolo[1,5-alpha]pyrimidine are report
ed. Enthalpies of fusion were determined for N,N'-bis(2-hydroxyethyl)e
thylenediamine, piperazine and 1,2,4-triazolo[1,5-alpha]pyrimidine. Tw
o-phase (solid + vapor) or (liquid + vapor) heat capacities were deter
mined from 300 K to the critical region or earlier decomposition tempe
rature for each compound studied. Liquid-phase densities along the sat
uration line were measured for N,N'-bis(2-hydroxyethyl)ethylenediamine
, dimethyl carbonate, and dicyclohexyl sulfide. For dimethyl carbonate
and piperazine, critical temperatures and critical densities mere det
ermined from the DSC results and corresponding critical pressures deri
ved from the fitting procedures. Fitting procedures were used to deriv
e critical temperatures, critical pressures, and critical densities fo
r hexachloroprop-1-ene, di-n-octyl sulfide, dicyclohexyl sulfide, and
diethylenetriamine. Group-additivity parameters and 1,4-interaction te
rms useful in the application of group-contribution correlations were
derived.