Measurement and correlation studies of phase equilibria and thermophysical properties of 4-tert-butylbenzaldehyde

Abstract

This study reports the vapor pressure data and thermophysical properties of 4-tert-butylbenzaldehyde, a fine chemical that is widely used in the manufacturing of fragrances and agricultural chemicals. The saturated vapor pressure was measured at isobaric condition 1.48–33kPa using a modified Swietoslawski-type ebulliometer and the data was correlated with Antoine and Clark-Glew equation where Antonie equation exhibited less deviation as compared to the Clark-Glew equation. Moreover, the critical properties were estimated based on Joback, Constantinou and Gani and Y. Nannoolal et al. methods. The boiling points computed using Constantinou and Gani method were in close approximation to the Antonie and Clark-Glew equations. The normal boiling point of 4-tert-butylbenzaldehyde was 523.9K with an acentric factor of 0.4. The thermophysical properties i.e., refractive index, density, viscosity and surface tension of 4-tert-butylbenzaldehyde were measured at different temperatures 293.15–328.15K. The density data was correlated with the Rackett equation with group contribution critical parameters. Amidst these contribution methods, Joback was found to exhibit the least relative average deviation (RAD) of 1.29. Further, the viscosity and surface tension were measured using Mansingh Survismeter and viscosity was fitted to the Vogel–Tamman–Fulcher equation with a RAD=1.05 respectively. The surface tension data was predicated using Brock and Bird method with different group contribution critical parameters. Among the investigated models, Nanoolal method-based parameters showed the least RAD. Additionally, the Friccohesity parameter, which deals with frictional and cohesive forces was estimated from the experimental surface tension data. It can be concluded from the present study that none of the prediction methods (group contribution) was able to correctly predict the thermophysical properties of 4-tert-butylbenzaldehyde, hence necessitates the findings of the experimental data.