Thermodynamics of the Sublimation and of the Vaporization of e-Caprolactam
Zaitsau, D. H.[Dzmitry H.], Paulechka, Y. U.[Yauheni U.], Kabo, G. J., Kolpikau, A. N.[Aleh N.], Emel'yanenko, V. N., Heintz, A.[Andreas], Verevkin, S. P.[Sergey P.]
The vapor pressure for crystalline e-caprolactam (CAS Registry No. 105602) was measured by the Knudsen method in the temperature range (293 to 338) K with a modified effusion cell with enlarged sublimation surface and by the transpiration method between T ) (302 and 339) K. The latter method was also used to measure the vapor pressures of the liquid phase between T ) (345 and 373) K. The thermodynamic parameters of sublimation and of vaporization and the standard entropy of caprolactam in the ideal gas state were estimated from the obtained data. Calculations of the thermodynamic properties of caprolactam in the ideal gas state were carried out based on the molecular data and the results obtained by DFT (B3LYP/6-311G*) quantum-mechanical calculations. The experimental and calculated values of the entropy of gaseous caprolactam agree with each other within 0.2 % at 298 K.
Compounds
#
Formula
Name
1
C6H11NO
1-aza-2-cycloheptanone
Datasets
The table above is generated from the ThermoML associated json file (link above).
POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied;
the numbers refer to the table of compounds on the left.