Densities, Speeds of Sound, Excess Molar Enthalpies, and Heat Capacities of o-Chlorotoluene and Cyclic Ether Mixtures

Abstract

The densities, ρ, speeds of sound, u, and excess heat capacities, C P E data of binary mixtures formed by o-chlorotoluene with 1,3-dioxolane or 1,4-dioxane or tetrahydropyran at (298.15, 303.15, and 308.15) K and excess molar enthalpies, H E , of the same mixtures at 308.15 K have been measured over the entire composition range at atmospheric pressure. The excess molar volumes, V E , and excess molar isentropic compressibilities, κ S E , data have been calculated from experimental densities and speeds of sound data. The V E , κ S E , and H E values for o-chlorotoluene (1) + 1,3-dioxolane or 1,4-dioxane (2) mixtures are positive, and those for o-chlorotoluene (1) + tetrahydropyran (2) mixture are negative over whole range of composition. However, C P E values for the studied mixtures are positive over the entire range of composition. The V E , κ S E , H E , and C P E data have been estimated in terms of graph and Prigogine−Flory−Patterson (except C P E data) theories. The results indicate that V E , κ S E , H E , and C P E values estimated via graph theory are in agreement with experimental values.

Phase Behavior Modeling of Mixtures Containing N-, S-, and O-Heterocyclic Compounds Using PC-SAFT Equation of State

“…In Figure , the specific heat capacity ( C p ) of pyrrole, tetrahydropyran, pyrrolidine, and 1,4-dioxane is predicted using PC-SAFT where the AARD (%) between the predicted and the experimental data − are 9.06, 3.39, 2.99, and 2.11%, respectively.…”

“…Predicted PC-SAFT results for specific heat capacity of (a) pyrrole, (b) tetrahydropyran, (c) pyrrolidine, and (d) 1,4-dioxane as a function of temperature compared with the experimental data − at P = 1 bar.…”

Densities and Excess Molar Volumes of the Ternary System (1,4-Dioxane + 2-Propanol + 1,1,2,2-Tetrachloroethane) at T = 288.15–318.15 K and at Atmospheric Pressure: Experimental Measurements and Prigogine–Flory–Patterson Modeling

“… values, for pure components, were calculated using our experimental density values, , whereas those of speed of sound, u i , and those of heat capacity, C pi , were calculated from literature data. 9,12,18,22,[38][39][40][41][42][43][44][45][46][47][48][49][50][51][52] Table 9. It appears, from this table, that the interactional contribution value is negative for the two systems and is predominant in the case of 1,4-dioxane containing mixture.…”

“…The reduced volume, V ̃ i , of a constituent i is given by where the thermal expansion coefficient, α i , is defined by The characteristic pressure and volume, P i * and V i * , respectively, are defined by where the isothermal compressibility κ T i of a constituent i is given by The values of the parameters α i , V i * , and P i * for pure components were estimated from the Flory theory, whereas the thermal compressibility κ T i values were obtained using the equation The Newton–Laplace equation was used to estimate the isentropic compressibility values, κ S , for pure components The κ T i values for pure components were calculated using our experimental density values, ρ, whereas those of speed of sound, u i , and heat capacity, C p i , were calculated from the literature data. ,,,,− All the α i , κ T i , V i * , and P i * values, which were used in PFP calculation, are summarized in Table . The interchange parameter, χ 12 , was derived by fitting the V E expression (eq ) to our experimental V E values at T = 298.15 K. The adjusted values of χ 12 and the calculated three contributions to the V E values at equimolar fraction are reported in Table .…”

Thermodynamic Studies of Molecular Interactions in Mixtures Containing Tetrahydropyran, 1,4-Dioxane, and Cyclic Ketones

“…It is also used as raw materials for adipic acid synthesis, as well as precursors of nylon-6 polymers. , This paper is a part of an ongoing project to measure and characterize the properties of mixtures containing cyclic ethers, ketones, and cyclic ketones. In continuation of our work on thermodynamic properties of multicomponent liquid mixtures containing cyclic ether as one of the component, − we report here densities, ρ, speeds of sound, u , and heat capacities, C P , at 293.15, 298.15, 303.15, and 308.15 K and excess molar enthalpies, H E of the tetrahydropyran 1,4-dioxane or (1) + cyclohexanone or cycloheptanone (2) mixtures at 308.15 K.…”