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Abstract  

The standard (p 0=0.1 MPa) molar enthalpy of formation, Δf H 0 m, for crystalline N-phenylphthalimide was derived from its standard molar enthalpy of combustion, in oxygen, at the temperature 298.15 K, measured by static bomb-combustion calorimetry, as –206.03.4 kJ mol–1. The standard molar enthalpy of sublimation, Δg cr H 0 m , at T=298.15 K, was derived, from high temperature Calvet microcalorimetry, as 121.31.0 kJ mol–1. The derived standard molar enthalpy of formation, in the gaseous state, is analysed in terms of enthalpic increments and interpreted in terms of molecular structure.

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Abstract  

The standard (p 0=0.1 MPa) molar enthalpies of formation, Δf H m 0, for crystalline phthalimides: phthalimide, N-ethylphthalimide and N-propylphthalimide were derived from the standard molar enthalpies of combustion, in oxygen, at the temperature 298.15 K, measured by static bomb-combustion calorimetry, as, respectively, – (318.01.7), – (350.12.7) and – (377.32.2) kJ mol–1. The standard molar enthalpies of sublimation, Δcr g H m 0, at T=298.15 K were derived by the Clausius-Clapeyron equation, from the temperature dependence of the vapour pressures for phthalimide, as (106.91.2) kJ mol–1 and from high temperature Calvet microcalorimetry for phthalimide, N-ethylphthalimide and N-propylphthalimide as, respectively, (106.31.3), (91.01.2) and (98.21.4) kJ mol–1. The derived standard molar enthalpies of formation, in the gaseous state, are analysed in terms of enthalpic increments and interpreted in terms of molecular structure.

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Abstract  

The standard molar enthalpy of formation of crystalline di-isobutyldithiocarbamate complexes of P, As, Sb and Bi(III) has been derived by solution calorimetry at 298.15 K. The corresponding standard molar enthalpies of sublimation were estimated by means of differential scanning calorimetry. From the standard molar enthalpies of formation of the gaseous chelates the homolytic and heterolytic mean metal-sulphur bond-dissociation enthalpies were calculated.

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Abstract  

The standard (p 0=0.1 MPa) molar enthalpy of formation of 1-cyanoacetylpiperidine, in the crystalline state, at T=298.15 K, has been derived from measurements of its standard massic energy of combustion, by static bomb combustion calorimetry, as Δf H m 0=−217.1±1.4 kJ mol−1. The standard molar enthalpy of sublimation was measured, at T=298.15 K, by the microcalorimetric sublimation technique as Δcr g H m 0=103.5±1.9 kJ mol−1.

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Abstract  

The present work reports the experimental determination of the standard (p o = 0.1 MPa) molar enthalpies of formation in the condensed and gaseous phases, at T = 298.15 K, of 5- and 6-nitroindazole. These results were derived from the measurements of the standard molar energies of combustion, using a static bomb calorimeter and from the standard molar enthalpies of sublimation derived by the application of Clausius–Clapeyron to the temperature dependence of the vapour pressures measured by the Knudsen effusion technique. The results are interpreted in terms of the energetic contributions of the nitro groups in the different positions of the aromatic ring.

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Thermochemical properties of three piperidine derivatives

1-benzyl-4-piperidinol, 4-benzylpiperidine and 4-piperidine-piperidine

Journal of Thermal Analysis and Calorimetry
Authors: M. Ribeiro da Silva and Joana Cabral

Abstract  

The standard (p o=0.1 MPa) molar energies of combustion for the crystalline 1-benzyl-4-piperidinol and 4-piperidine-piperidine, and for the liquid 4-benzylpiperidine, were measured by static bomb calorimetry, in oxygen, at T=298.15 K. The standard molar enthalpies of sublimation or vaporization, at T=298.15 K, of these three compounds were determined by Calvet microcalorimetry. Those values were used to derive the standard molar enthalpies of formation, at T=298.15 K, in their condensed and gaseous phase, respectively.

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Journal of Thermal Analysis and Calorimetry
Authors: Joana Cabral, Ricardo Monteiro, Marisa Rocha, Luís Santos, William Acree, and Maria Ribeiro da Silva

Abstract  

The standard ( = 0.1 MPa) energies of combustion in oxygen, at T = 298.15 K, for the solid compounds 2-methylpyridine-N-oxide (2-MePyNO), 3-methylpyridine-N-oxide (3-MePyNO) and 3,5-dimethylpyridine-N-oxide (3,5-DMePyNO) were measured by static-bomb calorimetry, from which the respective standard molar enthalpies of formation in the condensed phase were derived. The standard molar enthalpies of sublimation, at the same temperature, were measured by Calvet microcalorimetry. From the standard molar enthalpy of formation in gaseous phase, the molar dissociation enthalpies of the N–O bonds were derived, and compared with values of the dissociation enthalpies of other N–O bonds available for other pyridine-N-oxide derivatives.

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Abstract  

The standard (pº = 0.1 MPa) molar enthalpies of formation in the condensed state of chromone-3-carboxylic acid and coumarin-3-carboxylic acid were derived from the standard molar energies of combustion in oxygen at T = 298.15 K, measured by combustion calorimetry. The standard molar enthalpies of sublimation were obtained by Calvet microcalorimetry. From these values the standard molar enthalpies in the gaseous phase, at T = 298.15 K, were derived. Additionally estimates of the enthalpies of formation, of all the studied compounds in gas-phase, were performed using DFT and other more accurate correlated calculations (MCCM and G3MP2), together with appropriate isodesmic, homodesmic or atomization reactions. There is a reasonable agreement between computational and experimental results.

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Abstract  

The present work reports an experimental thermochemical study supported by state of the art calculations of two heterocyclic compounds containing oxygen in the ring: xanthone and tetrahydro-γ-pyrone. The standard (pº = 0.1 MPa) molar enthalpies of formation in the condensed phase, at T = 298.15 K, were derived from the measurements of the standard molar energies of combustion in oxygen atmosphere, using a static bomb calorimeter. The standard molar enthalpies of sublimation or vaporization, at T = 298.15 K, of the title compounds were obtained from Calvet microcalorimetry measurements. These values were used to derive the standard enthalpies of formation of the compounds in the gas-phase at the same temperature, which were compared with estimated data from G3(MP2)//B3LYP computations.

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Thermochemical properties of two nitrothiophene derivatives

2-acetyl-5-nitrothiophene and 5-nitro-2-thiophenecarboxaldehyde

Journal of Thermal Analysis and Calorimetry
Authors: Manuel Ribeiro da Silva and Ana Santos

Abstract  

This article reports the values of the standard (p o = 0.1 MPa) molar enthalpies of formation, in the gaseous phase,
\documentclass{aastex} \usepackage{amsbsy} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{bm} \usepackage{mathrsfs} \usepackage{pifont} \usepackage{stmaryrd} \usepackage{textcomp} \usepackage{upgreek} \usepackage{portland,xspace} \usepackage{amsmath,amsxtra} \pagestyle{empty} \DeclareMathSizes{10}{9}{7}{6} \begin{document} $${{\Updelta}}_{\text{f}} H_{\text{m}}^{\text{o}} \left( {\text{g}} \right),$$ \end{document}
at T = 298.15 K, of 2-acetyl-5-nitrothiophene and 5-nitro-2-thiophenecarboxaldehyde as −(48.8 ± 1.6) and (4.4 ± 1.3) kJ mol−1, respectively. These values were derived from experimental thermodynamic parameters, namely, the standard (p o = 0.1 MPa) molar enthalpies of formation, in the crystalline phase,
\documentclass{aastex} \usepackage{amsbsy} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{bm} \usepackage{mathrsfs} \usepackage{pifont} \usepackage{stmaryrd} \usepackage{textcomp} \usepackage{upgreek} \usepackage{portland,xspace} \usepackage{amsmath,amsxtra} \pagestyle{empty} \DeclareMathSizes{10}{9}{7}{6} \begin{document} $${{\Updelta}}_{\text{f}} H_{\text{m}}^{\text{o}} \left( {\text{cr}} \right) ,$$ \end{document}
at T = 298.15 K, obtained from the standard molar enthalpies of combustion,
\documentclass{aastex} \usepackage{amsbsy} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{bm} \usepackage{mathrsfs} \usepackage{pifont} \usepackage{stmaryrd} \usepackage{textcomp} \usepackage{upgreek} \usepackage{portland,xspace} \usepackage{amsmath,amsxtra} \pagestyle{empty} \DeclareMathSizes{10}{9}{7}{6} \begin{document} $${{\Updelta}}_{\text{c}} H_{\text{m}}^{\text{o}} ,$$ \end{document}
measured by rotating bomb combustion calorimetry, and from the standard molar enthalpies of sublimation, at T = 298.15 K, determined from the temperature–vapour pressure dependence, obtained by the Knudsen mass loss effusion method. The results are interpreted in terms of enthalpic increments and the enthalpic contribution of the nitro group in the substituted thiophene ring is compared with the same contribution in other structurally similar compounds.
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