Experimental Determination and Modeling Thermophysical Properties of 1-Chlorononane in a Wide Range of Conditions: Is It Possible To Predict a Contribution of Chlorine Atom?

Abstract

This study reports the experimental density and speed of sound data of 1-chlorononane along seven isotherms from 293.15 to 413.15 K at pressures from saturation up to 196.1 MPa. The pertinent isothermal compressibility and isobaric coefficient of expansion data have been obtained by numerical differentiating of densities. In addition, the saturated liquid densities have been measured from 253.15 to 443.15 K, isobaric heat capacities from 248.15 to 448.15 K, and speeds of sound from 246.88 to 457.25 K. These results have been interpolated by polynomials to obtain the saturated liquid isobaric coefficient of expansion, adiabatic and isothermal compressibility, isochoric heat capacity, and internal pressure data. Performances of three predictive approaches having different degrees of complexity, namely the Critical Point-based Perturbed Chain Statistical Association Fluid Theory, the Statistical Association Fluid Theory of Variable Range Mie Potential parametrized by a Corresponding States approach of Mejía et al. (Ind. Eng. Chem. Res. 2014, 53, 4131), and the fluctuation theory-based Tait-like equation of state have been examined. The latter model has a superiority in estimating of the high-pressure data; however, unlike both statistical association fluid theory approaches, it utilizes the saturated liquid data. It has also been demonstrated that all the models successfully predict various phenomena related with replacement of hydrogen by chlorine in n-nonane molecule.

Viscosities of 1-Iodoalkanes. New Experimental Data, Prediction, and Analysis

“…At the same time, as assumed previously, , despite significant density differences, certain properties of 1-haloalkanes are similar to the longer n -alkanes. In other words, in cases of these properties, the halogen atoms can act as several alkyl groups.…”

“…The current study continues a series of investigations, , publishing new experimental data on 1-haloalkanes along with their modeling and analysis. This time, the atmospheric pressure viscosity data of liquid 1-iodopropane, 1-iodobutane, 1-iodopentane, 1-iodooctane, 1-iodononane, 1-iododecane, and 1-iodododecane along with the relevant densities of the last five homologues are reported from 253.15 to 423.24 K. In addition, aspects related with predicting viscosities in 1-iodoalkane homologue series are considered, and the general contribution of iodine atom is discussed.…”

Calculation of the Isobaric Heat Capacities of the Liquid and Solid Phase of Organic Compounds at and around 298.15 K Based on Their “True” Molecular Volume

“…Beyond these compilations a large number of recent papers presenting the heat-capacity data of several classes of compounds and of individual molecules of any kind as well as their temperature dependence have been published up to the present. Special mention shall be given to the hydrocarbons [49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65], halogenated hydrocarbons [66,67,68,69,70,71], unsubstituted and substituted alcohols and polyols including sugar derivatives [72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107], phenol derivatives [108,109], carboxylic acids […”

Implementation of CP-PC-SAFT and CS-SAFT-VR-Mie for Predicting Thermodynamic Properties of C1–C3 Halocarbon Systems. I. Pure Compounds and Mixtures with Nonassociating Compounds

“…The critical point-based development of PC-SAFT (CP-PC-SAFT) aims at addressing two issues, namely, accurately estimating densities in the entire thermodynamic phase space while obeying the experimental values of T c and P c along with replacing fitting of the pure compound substance-specific parameters by a standardized and transparent Cubic EoS-style numerical solution. Previously this model was implemented for predicting data in the systems of certain nonrefrigerant halocarbons. − In addition to this, recently, Fu et al have applied it for predicting VLE and densities in the system CO 2 (1)–R1234ze­(E). The SAFT of variable range and Mie potential parametrized by a corresponding states approach by Mejía et al (CS-SAFT-VR-Mie) offers another predictive parametrization scheme for the substance-specific adjustable parameters along with the more advanced theoretical background.…”

“…The SAFT of variable range and Mie potential parametrized by a corresponding states approach by Mejía et al (CS-SAFT-VR-Mie) offers another predictive parametrization scheme for the substance-specific adjustable parameters along with the more advanced theoretical background. Its previous applications to halocarbons , were episodic as well.…”