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Thermodynamic Properties of o-Xylene, m-Xylene, p .Thermodynamic Properties of o-Xylene, m-Xylene,

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  • Thermodynamic Properties of o-Xylene, m-Xylene, p-Xylene, and EthylbenzeneYong Zhou, Jiangtao Wu, and Eric W. Lemmon Citation: Journal of Physical and Chemical Reference Data 41, 023103 (2012); doi: 10.1063/1.3703506 View online: http://dx.doi.org/10.1063/1.3703506 View Table of Contents: http://scitation.aip.org/content/aip/journal/jpcrd/41/2?ver=pdfcov Published by the AIP Publishing Articles you may be interested in Reference Correlations of the Thermal Conductivity of o-Xylene, m-Xylene, p-Xylene, and Ethylbenzene fromthe Triple Point to 700 K and Moderate Pressures J. Phys. Chem. Ref. Data 43, 043104 (2014); 10.1063/1.4901166 Ab initio calculation of lattice dynamics and thermodynamic properties of beryllium J. Appl. Phys. 111, 053503 (2012); 10.1063/1.3688344 Assessing the thermodynamic signatures of hydrophobic hydration for several common water models J. Chem. Phys. 132, 124504 (2010); 10.1063/1.3366718 A Reference Equation of State for the Thermodynamic Properties of Ethane for Temperatures from the MeltingLine to 675 K and Pressures up to 900 MPa J. Phys. Chem. Ref. Data 35, 205 (2006); 10.1063/1.1859286 An International Standard Formulation for the Thermodynamic Properties of 1,1,1-Trifluoroethane (HFC-143a)for Temperatures From 161 to 450 K and Pressures to 50 MPa J. Phys. Chem. Ref. Data 29, 521 (2000); 10.1063/1.1318909

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  • Thermodynamic Properties of o-Xylene, m-Xylene,p-Xylene, and Ethylbenzene

    Yong Zhou ()MOE Key Laboratory of Thermo-Fluid Science and Engineering, Xian Jiaotong University, Xian Shaanxi 710049,

    Peoples Republic of China, and Thermophysical Properties Division, National Institute of Standards and Technology,325 Broadway, Boulder, Colorado 80305, USA

    Jiangtao Wu ()MOE Key Laboratory of Thermo-Fluid Science and Engineering, Xian Jiaotong University, Xian Shaanxi 710049,

    Peoples Republic of China

    Eric W. Lemmona)

    Thermophysical Properties Division, National Institute of Standards and Technology, 325 Broadway, Boulder,Colorado 80305, USA

    (Received 9 December 2011; accepted 26 March 2012; published online 4 May 2012)

    Equations of state for the xylene isomers (o-xylene, m-xylene, and p-xylene) and ethyl-benzene have been developed with the use of the Helmholtz energy as the fundamental

    property with independent variables of density and temperature. The general uncertainties

    of the equations of state are 0.5% in vapor pressure above the normal boiling point, and

    increase as the temperature decreases due to a lack of experimental data. The uncertainties

    in density range from 0.1% in the liquid region to 1.0% elsewhere (the critical and vapor-

    phase regions). The uncertainties in properties related to energy (such as heat capacity and

    sound speed) are estimated to be 1.0%. In the critical region, the uncertainties are higher

    for all properties. The behavior of the equations of state is reasonable within the region of

    validity and at higher and lower temperatures and pressures. Detailed analyses between the

    equations and experimental data are reported.VC 2012 by the U.S. Secretary of Commerceon behalf of the United States. All rights reserved. [http://dx.doi.org/10.1063/1.3703506]

    Key words: equation of state; ethylbenzene; m-xylene; o-xylene; p-xylene; xylene isomers.

    CONTENTS

    1. Introduction. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3

    1.1. Characteristics of xylene isomers and

    ethylbenzene. . . . . . . . . . . . . . . . . . . . . . . . . . . 3

    1.2. Equation of state . . . . . . . . . . . . . . . . . . . . . . . 3

    1.3. Critical parameters of xylene isomers and

    ethylbenzene. . . . . . . . . . . . . . . . . . . . . . . . . . . 3

    2. Equation of State . . . . . . . . . . . . . . . . . . . . . . . . . . . 4

    2.1. Equation of state for o-xylene. . . . . . . . . . . . 72.2. Equation of state for m-xylene . . . . . . . . . . . 112.3. Equation of state for p-xylene. . . . . . . . . . . . 142.4. Equation of state for ethylbenzene . . . . . . . . 18

    3. Extrapolation. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22

    4. Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24

    5. References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24

    List of Tables

    1. Identifications and fundamental constants of

    o-xylene, m-xylene, p-xylene, andethylbenzene . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4

    2. Summary of critical parameters for o-xylene,m-xylene, p-xylene, and ethylbenzene . . . . . . . . 4

    3. Coefficients and exponents of the ideal-gas

    heat-capacity equations . . . . . . . . . . . . . . . . . . . . . 6

    4. Coefficients of the ideal-gas Helmholtz energy

    equation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6

    5. Coefficients and exponents of the equations of

    state . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6

    6. Coefficients of the equations of state . . . . . . . . . 7

    7. The range of validity of the equations . . . . . . . . 7

    8. Summary of experimental data for o-xylene . . . 8

    9. Summary of experimental data for m-xylene . . 12

    10. Summary of experimental data for p-xylene . . . 1511. Summary of experimental data for

    ethylbenzene . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18

    a)Author to whom correspondence should be addressed; Electronic mail:

    eric.lemmon@nist.gov; Fax: (303) 497-5044.VC 2012 by the U.S. Secretary of Commerce on behalf of the United States.

    All rights reserved.

    0047-2689/2012/41(2)/023103/26/$47.00 J. Phys. Chem. Ref. Data, Vol. 41, No. 2, 2012023103-1

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  • List of Figures

    1. The chemical structure of o-xylene, m-xylene,p-xylene, and ethylbenzene . . . . . . . . . . . . . . . . . 3

    2. Comparisons of vapor pressures calculated

    with the equation of state to experimental data

    for o-xylene. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93. Comparisons of saturated liquid densities

    calculated with the equation of state to

    experimental data for o-xylene . . . . . . . . . . . . . . 94. Comparisons of densities calculated with the

    equation of state to experimental data for

    o-xylene. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105. Comparisons of sound speeds calculated with

    the equation of state to experimental data for

    o-xylene. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106. Comparisons of second virial coefficients

    calculated with the equation of state to

    experimental data for o-xylene . . . . . . . . . . . . . . 107. Calculations of (Z1)= along isotherms

    versus density for o-xylene . . . . . . . . . . . . . . . . . 108. Comparisons of saturation heat capacities

    calculated with the equation of state to

    experimental data for o-xylene . . . . . . . . . . . . . . 119. Comparisons of isobaric heat capacities

    calculated with the equation of state to

    experimental data for o-xylene . . . . . . . . . . . . . . 1110. Comparisons of vapor pressures calculated

    with the equation of state to experimental

    data for m-xylene . . . . . . . . . . . . . . . . . . . . . . . . . . 1311. Comparisons of saturated liquid densities

    calculated with the equation of state to

    experimental data for m-xylene . . . . . . . . . . . . . . 1312. Comparisons of densities calculated with the

    equation of state to experimental data for

    m-xylene . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1413. Comparisons of saturation heat capacities

    calculated with the equation of state to

    experimental data for m-xylene . . . . . . . . . . . . . . 1414. Comparisons of isobaric heat capacities

    calculated with the equation of state to

    experimental data for m-xylene . . . . . . . . . . . . . . 1415. Comparisons of vapor pressures calculated

    with the equation of state to experimental

    data for p-xylene . . . . . . . . . . . . . . . . . . . . . . . . . . 1616. Comparisons of saturat

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