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      <yrYrPub>2012</yrYrPub>
      <sAuthor1>lob</sAuthor1>
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    <sAuthor>Lobo Ferreira, A. I. M. C.[Ana I.M.C.]</sAuthor>
    <sAuthor>Ribeiro da Silva, M. A. V.[Manuel A. V.]</sAuthor>
    <sPubName>J. Chem. Thermodyn.</sPubName>
    <yrPubYr>2012</yrPubYr>
    <dateCit>2018-03-19</dateCit>
    <sTitle>Experimental and computational study of the molecular energetics of the monoiodoanisole isomers</sTitle>
    <sAbstract>The standard (p  = 0.1 MPa) molar enthalpies of formation, in the condensed phase, of the three monoiodoanisoles, were derived from the respective enthalpies of combustion, measured by rotating-bomb  combustion calorimetry. Their enthalpies of sublimation/vaporization, at T = 298.15 K, were obtained  by Calvet microcalorimetry using the high-temperature vacuum sublimation technique. Moreover the standard molar enthalpy, entropy and Gibbs energy of sublimation, at T = 298.15 K, of 4-iodoanisole were derived from the Knudsen mass-loss effusion technique. Combining the former sets of experimental results, the standard molar enthalpies of formation in the gas-phase, at T = 298.15 K, of 2-, 3- and 4-iodoanisole were derived, respectively, as: (15.1 +- 2.1)  kJ mol-1; (11.8 +- 2.2) kJ mol-1, and (12.4 +- 1.6) kJ mol-1. The experimental values of the gas-phase enthalpies of formation of each iodoanisole were also estimated by means of the empirical scheme developed by Cox and by density functional theory calculations employing the B3LYP/6-311++G(d,p) approach. Estimated values are in excellent agreement with the reported experimental ones derived in the present paper.</sAbstract>
    <sKeyword>Energy of combustion</sKeyword>
    <sKeyword> Enthalpy of vaporization</sKeyword>
    <sKeyword> Enthalpy of sublimation</sKeyword>
    <sKeyword> Enthalpy of formation</sKeyword>
    <sKeyword> Rotating bomb combustion calorimetry</sKeyword>
    <sKeyword> Calvet microcalorimetry</sKeyword>
    <sKeyword> Knudsen effusion technique</sKeyword>
    <sKeyword> Vapor pressures</sKeyword>
    <sKeyword> Cox scheme</sKeyword>
    <sKeyword> Computational thermochemistry</sKeyword>
    <sDOI>10.1016/j.jct.2011.12.001</sDOI>
    <sVol>48</sVol>
    <sPage>84-92</sPage>
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