Michal Fulem - Academia.edu (original) (raw)
Papers by Michal Fulem
Molecules, 2021
In an effort to establish reliable thermodynamic data for proteinogenic amino acids, heat capacit... more In an effort to establish reliable thermodynamic data for proteinogenic amino acids, heat capacities for l-histidine (CAS RN: 71-00-1), l-phenylalanine (CAS RN: 63-91-2), l-proline (CAS RN: 147-85-3), l-tryptophan (CAS RN: 73-22-3), and l-tyrosine (CAS RN: 60-18-4) were measured over a wide temperature range. Prior to heat capacity measurements, thermogravimetric analysis was performed to determine the decomposition temperatures while X-ray powder diffraction (XRPD) and heat-flux differential scanning calorimetry (DSC) were used to identify the initial crystal structures and their possible transformations. Crystal heat capacities of all five amino acids were measured by Tian–Calvet calorimetry in the temperature interval from 262 to 358 K and by power compensation DSC in the temperature interval from 307 to 437 K. Experimental values determined in this work were then combined with the literature data obtained by adiabatic calorimetry. Low temperature heat capacities of l-histidine, ...
Journal of Chemical & Engineering Data, 2018
The vapor pressures of 46 compounds including n-alkanes and their monofunctionalized derivatives,... more The vapor pressures of 46 compounds including n-alkanes and their monofunctionalized derivatives, some monoterpenes, as well as chloro-and alkylbenzenes were determined by GLC exploring the Kovats retention indices (KI) technique, primarily in its basic form using two alkane references (GLC-RTKI). The fundamental advantage of the GLC-RTKI method is that it guarantees appropriate selection of alkane reference compounds. Typical relative errors in vapor pressures accompanying this method were below 30% for compounds of low polarity, while for polar compounds (nitriles, alcohols) the errors can reach percentages in the hundreds. In contrast, vapor pressures obtained from the modified Kovats method, relying on reference standards whose functional group matches that of the test compound (GLC-RTmKI), were found mostly within 5% of directly measured values. However, the success of this method is dependent on the availability of reliable vapor pressure data for compounds to serve as reference standards. As our methodology eliminates possible secondary error sources (e.g., data extrapolation, or recalculation from supercooled liquid-to-solid phase or vice versa), we propose that the results obtained are as accurate as is feasibly possible with GLC-RTKI and GLC-RTmKI methods. This study also yielded a novel set of directly measured (static method) data on the vapor pressures of C7−C9 alkyl nitriles.
Fluid Phase Equilibria, 2016
were measured with a Tian-Calvet calorimeter in the temperature range from 257 to 358 K; this tem... more were measured with a Tian-Calvet calorimeter in the temperature range from 257 to 358 K; this temperature range was extended up to 423 K with a heat-flux DSC. For all studied compounds, a maximum on temperature dependence of heat capacity was observed; this feature was corroborated by FTIR spectroscopy performed from 303 K to a maximum of 463 K. Such maxima are related to disintegration of oligomers kept together by hydrogen bonds. The role of steric hindrance on hydrogen bonding is discussed. It is apparent that temperature of maxima is very sensitive to steric hindrance; however, further effort is required for full understanding of hydrogen bonding in aliphatic octanols.
The Journal of Chemical Physics, 2016
A comparative study of the lattice energy calculations for a data set of 25 molecular crystals is... more A comparative study of the lattice energy calculations for a data set of 25 molecular crystals is performed using an additive scheme based on the individual energies of up to four-body interactions calculated using the coupled clusters with iterative treatment of single and double excitations and perturbative triples correction (CCSD(T)) with an estimated complete basis set (CBS) description. The CCSD(T)/CBS values on lattice energies are used to estimate sublimation enthalpies which are compared with critically assessed and thermodynamically consistent experimental values. The average absolute percentage deviation of calculated sublimation enthalpies from experimental values amounts to 13% (corresponding to 4.8 kJ mol −1 on absolute scale) with unbiased distribution of positive to negative deviations. As pair interaction energies present a dominant contribution to the lattice energy and CCSD(T)/CBS calculations still remain computationally costly, benchmark calculations of pair interaction energies defined by crystal parameters involving 17 levels of theory, including recently developed methods with local and explicit treatment of electronic correlation, such as LCC and LCC-F12, are also presented. Locally and explicitly correlated methods are found to be computationally effective and reliable methods enabling the application of fragment-based methods for larger systems.
Chemistry (Weinheim an der Bergstrasse, Germany), Jan 12, 2015
Here it is reported that crystals of an enantiopure [7]helquat salt undergo reversible thermal so... more Here it is reported that crystals of an enantiopure [7]helquat salt undergo reversible thermal solid-solid phase transition at 404 K. Differential scanning calorimetry (DSC), capillary electrophoresis (CE), and X-ray diffraction analysis were used to unravel the mechanistic details of this process. The single-crystal-to-single-crystal course enabled direct monitoring of the structural changes by in situ variable-temperature X-ray diffraction, thus providing the first direct evidence of a solid phase transition in a helicene-like compound.
Fluid Phase Equilibria, 2015
In this work, a thermodynamic study of four important industrial solvents, ethylene carbonate (CA... more In this work, a thermodynamic study of four important industrial solvents, ethylene carbonate (CAS RN: 96-49-1), propylene carbonate (CAS RN: 108-32-7), γ-valerolactone (CAS RN: 108-29-2), and γ-butyrolactone (CAS RN: 96-48-0), is presented. The vapor pressure measurements were performed by static method using two apparatuses in a combined temperature interval (238−363) K. Heat capacities of condensed phases were measured by Tian−Calvet calorimetry in the temperature interval (262−358) K. The phase behavior of ethylene carbonate and γ-valerolactone was investigated by a heat-flux DSC from 183−303 and 328 K, respectively. Ideal-gas thermodynamic properties were calculated using the methods of statistical thermodynamics based on calculated fundamental vibrational frequencies and molecular structure data. A consistent thermodynamic description of all involved properties (calculated ideal-gas heat capacities and experimental data on vapor pressures, condensed phase heat capacities, and vaporization enthalpies) was achieved by their simultaneous correlation.
Isobaric heat capacities C p in the liquid phase of dimethyl phthalate, diethyl phthalate, dibuty... more Isobaric heat capacities C p in the liquid phase of dimethyl phthalate, diethyl phthalate, dibutyl phthalate, bis(2-ethylhexyl) phthalate, and benzyl butyl phthalate were measured by commercial SETARAM heat conduction calorimeters. Results obtained cover the following temperature range: dimethyl phthalate 283 to 323 K, diethyl phthalate 306 to 370 K, dibutyl phthalate 313 to 447 K, bis(2-ethylhexyl) phthalate from 313 to
![Research paper thumbnail of Corrigendum to ‘Recommended sublimation pressure and enthalpy of benzene’ [J. Chem. Thermodyn. 68 (2014) 40– 47]](https://attachments.academia-assets.com/94727759/thumbnails/1.jpg)
](The Journal of Chemical Thermodynamics, 2014
Thermochimica Acta, 2014
were measured with a highly sensitive Tian-Calvet calorimeter in the temperature range from 254 K... more were measured with a highly sensitive Tian-Calvet calorimeter in the temperature range from 254 K to 352 K. Experimental heat capacity data were correlated as a function of temperature. The phase behavior was investigated with a differential scanning calorimeter. Calorimetric measurements were complemented by FTIR spectroscopy for less volatile compounds (cyclohexanol, cycloheptanol, cyclooctanol). The main aim of this work was to fill the gap in reliable heat capacity data for these compounds and to extend the knowledge base required for a better understanding of alcohols self-association. 2014 Elsevier B.V. All rights reserved.
Thermochimica Acta, 2004
Saturation molar heat capacities C sat in the liquid phase of five 1-alkanols from C 10 to C 20 w... more Saturation molar heat capacities C sat in the liquid phase of five 1-alkanols from C 10 to C 20 were measured by a commercial SETARAM heat conduction calorimeter. Results obtained cover the following temperature range: 1-decanol 304-405 K, 1-dodecanol 307-358 K, 1-hexadecanol 328-387 K, 1-octadecanol 338-397 K, and 1-eicosanol 347-517 K. The heat capacity data obtained in this work were merged with available experimental data from literature, critically assessed and sets of recommended data were developed by correlating selected data as a function of temperature.
The Journal of Chemical Thermodynamics, 2013
Recommended vapor pressure data for ferrocene (CAS Registry Number: 102-54-5) in the temperature ... more Recommended vapor pressure data for ferrocene (CAS Registry Number: 102-54-5) in the temperature range from 242 to 447 K were developed by the simultaneous correlation of critically assessed vapor pressures, heat capacities of the crystalline phase and the ideal gas, and calorimetrically determined enthalpies of sublimation. All of the properties needed for the correlation were newly determined in this work. The value for the enthalpy of sublimation, g cr m H ∆ (298.15 K) = (74.38 ± 0.38) kJ•mol-1 , is recommended. Comparisons with literature values are shown for all measured and derived properties.
The Journal of Chemical Thermodynamics, 2006
The paper presents methodology of vapour pressure measurement of metal organic precursors, descri... more The paper presents methodology of vapour pressure measurement of metal organic precursors, describes two static apparatuses for vapour pressure measurement that have recently been constructed in the authorsÕ laboratory, discusses handling and preparation of metal organic precursors prior to vapour pressure measurement by a static method and briefly presents the method of simultaneous treatment of vapour pressure and thermal data. New vapour pressure data of triethylantimony [CAS RN: 617-85-6] in the temperature range from 238 K to 309 K are reported. Parameters of the Antoine and of the Cox equations for trimethylgallium [CAS RN: 1445-79-0] and trimethylaluminium [CAS RN: 75-24-1] are reported that were derived from the most reliable vapour pressure data and the related thermal data using simultaneous multi-property correlation.
The Journal of Chemical Thermodynamics, 2013
A thermodynamic study of important biogenic compounds, (-)-a-pinene, (-)-b-pinene, (-)-cis-verben... more A thermodynamic study of important biogenic compounds, (-)-a-pinene, (-)-b-pinene, (-)-cis-verbenol, and (-)-verbenone, is presented in this work. The vapor pressure measurements were performed using the static method over the environmentally important temperature range from 238 to 313 K. The sublimation and vaporization enthalpies were derived from these measurements as well as directly determined by a Calvet high temperature microcalorimeter. Heat capacities of condensed phases were measured by Calvet and drop calorimetry in the temperature interval from 273 to 355 K. The thermodynamic properties of the ideal-gas state were calculated by combining statistical thermodynamics and density functional theory (DFT) calculations. The trends in thermodynamic properties within the group of compounds possessing similar molecular structures are discussed.
Journal of Crystal Growth, 2004
Solution TMI™ precursor has been protected by a US patent since 1993 (US patent 5,232,869, 1993) ... more Solution TMI™ precursor has been protected by a US patent since 1993 (US patent 5,232,869, 1993) and is widely used but up to now precise vapour pressure measurements were missing. In cooperation with Epichem Ltd. we have measured, for the first time, the vapour pressure of all the components of this TMI precursor source: N,N-dimethyldodecylamine, solid trimethylindium (TMI), adduct 1:1
Journal of Crystal Growth, 2004
The vapour pressure of two metal organic precursors, Y(thd)3 [CAS RN: 15632-39-0] and Zr(thd)4 [C... more The vapour pressure of two metal organic precursors, Y(thd)3 [CAS RN: 15632-39-0] and Zr(thd)4 [CAS RN: 18865-74-2] (thd=2,2,6,6-tetramethylheptane-3,5-dionate), used for metal organic chemical vapour deposition of high-temperature superconductor layers, was measured by a static method in the technologically important temperature range from 395 to 465K. The experimental data were fitted by simple two-parameter equation and represent updated values of the
Journal of Chemical & Engineering Data, 2010
Vapor pressures of trimethylantimony (CAS Registry Number 594-10-5) and tert-butyldimethylantimon... more Vapor pressures of trimethylantimony (CAS Registry Number 594-10-5) and tert-butyldimethylantimony (CAS Registry Number 138260-00-1) were measured using the static method in the temperature range of (248 to 308) K. The experimental data were fitted with the Clarke and Glew and Antoine equations and compared with the previously published values.
Journal of Chemical & Engineering Data, 2010
Vapor pressures of four organic iodides, 1-iodo-2-methylpropane (CAS Registry No. 513-38-2), 1-io... more Vapor pressures of four organic iodides, 1-iodo-2-methylpropane (CAS Registry No. 513-38-2), 1-iodo-3methylbutane (CAS Registry No. 541-28-6), 1-iodohexane (CAS Registry No. 638-45-9), and iodocyclohexane (CAS Registry No. 626-62-0), were measured using the static method in the technologically important temperature range (254 to 308) K. The experimental data were fitted with the Clarke and Glew equation. To our knowledge, this is the first time that vapor-pressure measurements for 1-iodohexane and iodocyclohexane are reported in the given temperature range. For 1-iodo-2-methylpropane and 1-iodo-3-methylbutane, the present measurements update the only available literature data originating from the year 1895.
Journal of Chemical & Engineering Data, 2010
Journal of Chemical & Engineering Data, 2008
New solid state heat capacity data for tetracene and pentacene are reported in the temperature ra... more New solid state heat capacity data for tetracene and pentacene are reported in the temperature range (258 to 600) K. The heat capacity measurements were performed using the step method with a Setaram Micro DSC III calorimeter (Institute of Chemical Technology, Prague) and a Setaram TG-DSC 111 (University of Alberta) calorimeter. These new heat capacity data are shown to be in good agreement with one another and with several solid state constant-pressure heat capacity estimation methods and quantum mechanical calculations. The new results highlight errors in the solid state heat capacity and melting point databases for polynuclear aromatic hydrocarbons.
Molecules, 2021
In an effort to establish reliable thermodynamic data for proteinogenic amino acids, heat capacit... more In an effort to establish reliable thermodynamic data for proteinogenic amino acids, heat capacities for l-histidine (CAS RN: 71-00-1), l-phenylalanine (CAS RN: 63-91-2), l-proline (CAS RN: 147-85-3), l-tryptophan (CAS RN: 73-22-3), and l-tyrosine (CAS RN: 60-18-4) were measured over a wide temperature range. Prior to heat capacity measurements, thermogravimetric analysis was performed to determine the decomposition temperatures while X-ray powder diffraction (XRPD) and heat-flux differential scanning calorimetry (DSC) were used to identify the initial crystal structures and their possible transformations. Crystal heat capacities of all five amino acids were measured by Tian–Calvet calorimetry in the temperature interval from 262 to 358 K and by power compensation DSC in the temperature interval from 307 to 437 K. Experimental values determined in this work were then combined with the literature data obtained by adiabatic calorimetry. Low temperature heat capacities of l-histidine, ...
Journal of Chemical & Engineering Data, 2018
The vapor pressures of 46 compounds including n-alkanes and their monofunctionalized derivatives,... more The vapor pressures of 46 compounds including n-alkanes and their monofunctionalized derivatives, some monoterpenes, as well as chloro-and alkylbenzenes were determined by GLC exploring the Kovats retention indices (KI) technique, primarily in its basic form using two alkane references (GLC-RTKI). The fundamental advantage of the GLC-RTKI method is that it guarantees appropriate selection of alkane reference compounds. Typical relative errors in vapor pressures accompanying this method were below 30% for compounds of low polarity, while for polar compounds (nitriles, alcohols) the errors can reach percentages in the hundreds. In contrast, vapor pressures obtained from the modified Kovats method, relying on reference standards whose functional group matches that of the test compound (GLC-RTmKI), were found mostly within 5% of directly measured values. However, the success of this method is dependent on the availability of reliable vapor pressure data for compounds to serve as reference standards. As our methodology eliminates possible secondary error sources (e.g., data extrapolation, or recalculation from supercooled liquid-to-solid phase or vice versa), we propose that the results obtained are as accurate as is feasibly possible with GLC-RTKI and GLC-RTmKI methods. This study also yielded a novel set of directly measured (static method) data on the vapor pressures of C7−C9 alkyl nitriles.
Fluid Phase Equilibria, 2016
were measured with a Tian-Calvet calorimeter in the temperature range from 257 to 358 K; this tem... more were measured with a Tian-Calvet calorimeter in the temperature range from 257 to 358 K; this temperature range was extended up to 423 K with a heat-flux DSC. For all studied compounds, a maximum on temperature dependence of heat capacity was observed; this feature was corroborated by FTIR spectroscopy performed from 303 K to a maximum of 463 K. Such maxima are related to disintegration of oligomers kept together by hydrogen bonds. The role of steric hindrance on hydrogen bonding is discussed. It is apparent that temperature of maxima is very sensitive to steric hindrance; however, further effort is required for full understanding of hydrogen bonding in aliphatic octanols.
The Journal of Chemical Physics, 2016
A comparative study of the lattice energy calculations for a data set of 25 molecular crystals is... more A comparative study of the lattice energy calculations for a data set of 25 molecular crystals is performed using an additive scheme based on the individual energies of up to four-body interactions calculated using the coupled clusters with iterative treatment of single and double excitations and perturbative triples correction (CCSD(T)) with an estimated complete basis set (CBS) description. The CCSD(T)/CBS values on lattice energies are used to estimate sublimation enthalpies which are compared with critically assessed and thermodynamically consistent experimental values. The average absolute percentage deviation of calculated sublimation enthalpies from experimental values amounts to 13% (corresponding to 4.8 kJ mol −1 on absolute scale) with unbiased distribution of positive to negative deviations. As pair interaction energies present a dominant contribution to the lattice energy and CCSD(T)/CBS calculations still remain computationally costly, benchmark calculations of pair interaction energies defined by crystal parameters involving 17 levels of theory, including recently developed methods with local and explicit treatment of electronic correlation, such as LCC and LCC-F12, are also presented. Locally and explicitly correlated methods are found to be computationally effective and reliable methods enabling the application of fragment-based methods for larger systems.
Chemistry (Weinheim an der Bergstrasse, Germany), Jan 12, 2015
Here it is reported that crystals of an enantiopure [7]helquat salt undergo reversible thermal so... more Here it is reported that crystals of an enantiopure [7]helquat salt undergo reversible thermal solid-solid phase transition at 404 K. Differential scanning calorimetry (DSC), capillary electrophoresis (CE), and X-ray diffraction analysis were used to unravel the mechanistic details of this process. The single-crystal-to-single-crystal course enabled direct monitoring of the structural changes by in situ variable-temperature X-ray diffraction, thus providing the first direct evidence of a solid phase transition in a helicene-like compound.
Fluid Phase Equilibria, 2015
In this work, a thermodynamic study of four important industrial solvents, ethylene carbonate (CA... more In this work, a thermodynamic study of four important industrial solvents, ethylene carbonate (CAS RN: 96-49-1), propylene carbonate (CAS RN: 108-32-7), γ-valerolactone (CAS RN: 108-29-2), and γ-butyrolactone (CAS RN: 96-48-0), is presented. The vapor pressure measurements were performed by static method using two apparatuses in a combined temperature interval (238−363) K. Heat capacities of condensed phases were measured by Tian−Calvet calorimetry in the temperature interval (262−358) K. The phase behavior of ethylene carbonate and γ-valerolactone was investigated by a heat-flux DSC from 183−303 and 328 K, respectively. Ideal-gas thermodynamic properties were calculated using the methods of statistical thermodynamics based on calculated fundamental vibrational frequencies and molecular structure data. A consistent thermodynamic description of all involved properties (calculated ideal-gas heat capacities and experimental data on vapor pressures, condensed phase heat capacities, and vaporization enthalpies) was achieved by their simultaneous correlation.
Isobaric heat capacities C p in the liquid phase of dimethyl phthalate, diethyl phthalate, dibuty... more Isobaric heat capacities C p in the liquid phase of dimethyl phthalate, diethyl phthalate, dibutyl phthalate, bis(2-ethylhexyl) phthalate, and benzyl butyl phthalate were measured by commercial SETARAM heat conduction calorimeters. Results obtained cover the following temperature range: dimethyl phthalate 283 to 323 K, diethyl phthalate 306 to 370 K, dibutyl phthalate 313 to 447 K, bis(2-ethylhexyl) phthalate from 313 to
The Journal of Chemical Thermodynamics, 2014
Thermochimica Acta, 2014
were measured with a highly sensitive Tian-Calvet calorimeter in the temperature range from 254 K... more were measured with a highly sensitive Tian-Calvet calorimeter in the temperature range from 254 K to 352 K. Experimental heat capacity data were correlated as a function of temperature. The phase behavior was investigated with a differential scanning calorimeter. Calorimetric measurements were complemented by FTIR spectroscopy for less volatile compounds (cyclohexanol, cycloheptanol, cyclooctanol). The main aim of this work was to fill the gap in reliable heat capacity data for these compounds and to extend the knowledge base required for a better understanding of alcohols self-association. 2014 Elsevier B.V. All rights reserved.
Thermochimica Acta, 2004
Saturation molar heat capacities C sat in the liquid phase of five 1-alkanols from C 10 to C 20 w... more Saturation molar heat capacities C sat in the liquid phase of five 1-alkanols from C 10 to C 20 were measured by a commercial SETARAM heat conduction calorimeter. Results obtained cover the following temperature range: 1-decanol 304-405 K, 1-dodecanol 307-358 K, 1-hexadecanol 328-387 K, 1-octadecanol 338-397 K, and 1-eicosanol 347-517 K. The heat capacity data obtained in this work were merged with available experimental data from literature, critically assessed and sets of recommended data were developed by correlating selected data as a function of temperature.
The Journal of Chemical Thermodynamics, 2013
Recommended vapor pressure data for ferrocene (CAS Registry Number: 102-54-5) in the temperature ... more Recommended vapor pressure data for ferrocene (CAS Registry Number: 102-54-5) in the temperature range from 242 to 447 K were developed by the simultaneous correlation of critically assessed vapor pressures, heat capacities of the crystalline phase and the ideal gas, and calorimetrically determined enthalpies of sublimation. All of the properties needed for the correlation were newly determined in this work. The value for the enthalpy of sublimation, g cr m H ∆ (298.15 K) = (74.38 ± 0.38) kJ•mol-1 , is recommended. Comparisons with literature values are shown for all measured and derived properties.
The Journal of Chemical Thermodynamics, 2006
The paper presents methodology of vapour pressure measurement of metal organic precursors, descri... more The paper presents methodology of vapour pressure measurement of metal organic precursors, describes two static apparatuses for vapour pressure measurement that have recently been constructed in the authorsÕ laboratory, discusses handling and preparation of metal organic precursors prior to vapour pressure measurement by a static method and briefly presents the method of simultaneous treatment of vapour pressure and thermal data. New vapour pressure data of triethylantimony [CAS RN: 617-85-6] in the temperature range from 238 K to 309 K are reported. Parameters of the Antoine and of the Cox equations for trimethylgallium [CAS RN: 1445-79-0] and trimethylaluminium [CAS RN: 75-24-1] are reported that were derived from the most reliable vapour pressure data and the related thermal data using simultaneous multi-property correlation.
The Journal of Chemical Thermodynamics, 2013
A thermodynamic study of important biogenic compounds, (-)-a-pinene, (-)-b-pinene, (-)-cis-verben... more A thermodynamic study of important biogenic compounds, (-)-a-pinene, (-)-b-pinene, (-)-cis-verbenol, and (-)-verbenone, is presented in this work. The vapor pressure measurements were performed using the static method over the environmentally important temperature range from 238 to 313 K. The sublimation and vaporization enthalpies were derived from these measurements as well as directly determined by a Calvet high temperature microcalorimeter. Heat capacities of condensed phases were measured by Calvet and drop calorimetry in the temperature interval from 273 to 355 K. The thermodynamic properties of the ideal-gas state were calculated by combining statistical thermodynamics and density functional theory (DFT) calculations. The trends in thermodynamic properties within the group of compounds possessing similar molecular structures are discussed.
Journal of Crystal Growth, 2004
Solution TMI™ precursor has been protected by a US patent since 1993 (US patent 5,232,869, 1993) ... more Solution TMI™ precursor has been protected by a US patent since 1993 (US patent 5,232,869, 1993) and is widely used but up to now precise vapour pressure measurements were missing. In cooperation with Epichem Ltd. we have measured, for the first time, the vapour pressure of all the components of this TMI precursor source: N,N-dimethyldodecylamine, solid trimethylindium (TMI), adduct 1:1
Journal of Crystal Growth, 2004
The vapour pressure of two metal organic precursors, Y(thd)3 [CAS RN: 15632-39-0] and Zr(thd)4 [C... more The vapour pressure of two metal organic precursors, Y(thd)3 [CAS RN: 15632-39-0] and Zr(thd)4 [CAS RN: 18865-74-2] (thd=2,2,6,6-tetramethylheptane-3,5-dionate), used for metal organic chemical vapour deposition of high-temperature superconductor layers, was measured by a static method in the technologically important temperature range from 395 to 465K. The experimental data were fitted by simple two-parameter equation and represent updated values of the
Journal of Chemical & Engineering Data, 2010
Vapor pressures of trimethylantimony (CAS Registry Number 594-10-5) and tert-butyldimethylantimon... more Vapor pressures of trimethylantimony (CAS Registry Number 594-10-5) and tert-butyldimethylantimony (CAS Registry Number 138260-00-1) were measured using the static method in the temperature range of (248 to 308) K. The experimental data were fitted with the Clarke and Glew and Antoine equations and compared with the previously published values.
Journal of Chemical & Engineering Data, 2010
Vapor pressures of four organic iodides, 1-iodo-2-methylpropane (CAS Registry No. 513-38-2), 1-io... more Vapor pressures of four organic iodides, 1-iodo-2-methylpropane (CAS Registry No. 513-38-2), 1-iodo-3methylbutane (CAS Registry No. 541-28-6), 1-iodohexane (CAS Registry No. 638-45-9), and iodocyclohexane (CAS Registry No. 626-62-0), were measured using the static method in the technologically important temperature range (254 to 308) K. The experimental data were fitted with the Clarke and Glew equation. To our knowledge, this is the first time that vapor-pressure measurements for 1-iodohexane and iodocyclohexane are reported in the given temperature range. For 1-iodo-2-methylpropane and 1-iodo-3-methylbutane, the present measurements update the only available literature data originating from the year 1895.
Journal of Chemical & Engineering Data, 2010
Journal of Chemical & Engineering Data, 2008
New solid state heat capacity data for tetracene and pentacene are reported in the temperature ra... more New solid state heat capacity data for tetracene and pentacene are reported in the temperature range (258 to 600) K. The heat capacity measurements were performed using the step method with a Setaram Micro DSC III calorimeter (Institute of Chemical Technology, Prague) and a Setaram TG-DSC 111 (University of Alberta) calorimeter. These new heat capacity data are shown to be in good agreement with one another and with several solid state constant-pressure heat capacity estimation methods and quantum mechanical calculations. The new results highlight errors in the solid state heat capacity and melting point databases for polynuclear aromatic hydrocarbons.