Thermochemistry of 4-HOC6H4COR (R </ce:hsp>= </ce:hsp>H, CH3, C2H5, n-C3H7, n-C4H9, n-C5H11, and n-C6H13) compounds

Thermochemistry of 4-HOC₆H₄COR (R = H, CH₃, C₂H₅, n-C₃H₇, n-C₄H₉, n-C₅H₁₁, and n-C₆H₁₃) compounds

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作者：C&aacute ; tia S.D. Lopes ; Filipe Agapito ; Carlos E.S. Bernardes ; Manuel E. Minas da Piedade ; ^{memp@fc.ul.pt" class="auth_mail" title="E-mail the corresponding author}
刊名：Journal of Chemical Thermodynamics
出版年：2017
出版时间：January 2017
年：2017
卷：104
期：Complete
页码：281-287
全文大小：621 K

文摘

ass="label">•: Enthalpies of vaporization/sublimation of 4-HOC₆H₄COR compounds were measured by Calvet microcalorimetry.
ass="label">•: an id="mmlsi1" class="mathmlsrc"><a title="View the MathML source" class="mathImg" data-mathURL="/science?_ob=MathURL&_method=retrieve&_eid=1-s2.0-S0021961416302853&_mathId=si1.gif&_user=111111111&_pii=S0021961416302853&_rdoc=1&_issn=00219614&md5=4d1ad767d7461b8db6f2539d2ca8ce04">ass="imgLazyJSB inlineImage" height="19" width="42" alt="View the MathML source" title="View the MathML source" src="/sd/grey_pxl.gif" data-inlimgeid="1-s2.0-S0021961416302853-si1.gif">a>an class="mathContainer hidden">an class="mathCode">ath altimg="si1.gif" overflow="scroll">athvariant="normal">ΔfHm°ath>an>an>an> (g) of 4-HOC₆H₄COR compounds were obtained from W1-F12 and CCSD(T)-F12 ab initio calculations.
ass="label">•: The corresponding an id="mmlsi1" class="mathmlsrc"><a title="View the MathML source" class="mathImg" data-mathURL="/science?_ob=MathURL&_method=retrieve&_eid=1-s2.0-S0021961416302853&_mathId=si1.gif&_user=111111111&_pii=S0021961416302853&_rdoc=1&_issn=00219614&md5=4d1ad767d7461b8db6f2539d2ca8ce04">ass="imgLazyJSB inlineImage" height="19" width="42" alt="View the MathML source" title="View the MathML source" src="/sd/grey_pxl.gif" data-inlimgeid="1-s2.0-S0021961416302853-si1.gif">a>an class="mathContainer hidden">an class="mathCode">ath altimg="si1.gif" overflow="scroll">athvariant="normal">ΔfHm°ath>an>an>an> (cr) were derived from the experimental an id="mmlsi3" class="mathmlsrc"><a title="View the MathML source" class="mathImg" data-mathURL="/science?_ob=MathURL&_method=retrieve&_eid=1-s2.0-S0021961416302853&_mathId=si3.gif&_user=111111111&_pii=S0021961416302853&_rdoc=1&_issn=00219614&md5=293c670869c50c567e116f6e8713b457">ass="imgLazyJSB inlineImage" height="19" width="55" alt="View the MathML source" title="View the MathML source" src="/sd/grey_pxl.gif" data-inlimgeid="1-s2.0-S0021961416302853-si3.gif">a>an class="mathContainer hidden">an class="mathCode">ath altimg="si3.gif" overflow="scroll">athvariant="normal">ΔvapHm°ath>an>an>an> or an id="mmlsi4" class="mathmlsrc"><a title="View the MathML source" class="mathImg" data-mathURL="/science?_ob=MathURL&_method=retrieve&_eid=1-s2.0-S0021961416302853&_mathId=si4.gif&_user=111111111&_pii=S0021961416302853&_rdoc=1&_issn=00219614&md5=2f348829732efcced711b7f5bd307e12">ass="imgLazyJSB inlineImage" height="20" width="53" alt="View the MathML source" title="View the MathML source" src="/sd/grey_pxl.gif" data-inlimgeid="1-s2.0-S0021961416302853-si4.gif">a>an class="mathContainer hidden">an class="mathCode">ath altimg="si4.gif" overflow="scroll">athvariant="normal">ΔsubHm°ath>an>an>an> data and the computational an id="mmlsi1" class="mathmlsrc"><a title="View the MathML source" class="mathImg" data-mathURL="/science?_ob=MathURL&_method=retrieve&_eid=1-s2.0-S0021961416302853&_mathId=si1.gif&_user=111111111&_pii=S0021961416302853&_rdoc=1&_issn=00219614&md5=4d1ad767d7461b8db6f2539d2ca8ce04">ass="imgLazyJSB inlineImage" height="19" width="42" alt="View the MathML source" title="View the MathML source" src="/sd/grey_pxl.gif" data-inlimgeid="1-s2.0-S0021961416302853-si1.gif">a>an class="mathContainer hidden">an class="mathCode">ath altimg="si1.gif" overflow="scroll">athvariant="normal">ΔfHm°ath>an>an>an> (g) results.
ass="label">•: The an id="mmlsi4" class="mathmlsrc"><a title="View the MathML source" class="mathImg" data-mathURL="/science?_ob=MathURL&_method=retrieve&_eid=1-s2.0-S0021961416302853&_mathId=si4.gif&_user=111111111&_pii=S0021961416302853&_rdoc=1&_issn=00219614&md5=2f348829732efcced711b7f5bd307e12">ass="imgLazyJSB inlineImage" height="20" width="53" alt="View the MathML source" title="View the MathML source" src="/sd/grey_pxl.gif" data-inlimgeid="1-s2.0-S0021961416302853-si4.gif">a>an class="mathContainer hidden">an class="mathCode">ath altimg="si4.gif" overflow="scroll">athvariant="normal">ΔsubHm°ath>an>an>an> values show an approximately additive increase with the number of carbon atoms in the alkyl side chain.
ass="label">•: An excellent linear correlation was found between the an id="mmlsi1" class="mathmlsrc"><a title="View the MathML source" class="mathImg" data-mathURL="/science?_ob=MathURL&_method=retrieve&_eid=1-s2.0-S0021961416302853&_mathId=si1.gif&_user=111111111&_pii=S0021961416302853&_rdoc=1&_issn=00219614&md5=4d1ad767d7461b8db6f2539d2ca8ce04">ass="imgLazyJSB inlineImage" height="19" width="42" alt="View the MathML source" title="View the MathML source" src="/sd/grey_pxl.gif" data-inlimgeid="1-s2.0-S0021961416302853-si1.gif">a>an class="mathContainer hidden">an class="mathCode">ath altimg="si1.gif" overflow="scroll">athvariant="normal">ΔfHm°ath>an>an>an> (g) values and the number of carbon atoms in the alkyl side chain.

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