Thermochemical study of three dibromophenol isomers

Ferreira, Ana I.M.C. Lobo; Silva, Manuel A.V. Ribeiro da

doi:10.1016/j.jct.2010.08.020

Cited by 10 publications

(2 citation statements)

References 44 publications

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“…So far, the GC-RT method has been used to determine subcooled liquid vapor pressures for PBDEs − and hexabromobenzene (HBB), whereas the vapor pressures of PBDEs, − HBCDs, HBB, tetrabromobisphenol A (TBBPA), , and 1,2-bis(2,4,6-tribromophenoxy)ethane (BTBPE) have been measured using either the Knudsen effusion ,, or the gas saturation method . As for other brominated aromatic compounds, the vapor pressures of polybrominated dibenzo- p -dioxins (PBDDs), derivatives of BFRs, and brominated aromatic compounds with fewer Br substituents − have also been measured using the Knudsen effusion method, ,− , gas saturation method, , or other static methods using a manometer. , Besides vapor pressures, water solubilities, 1-octanol/water partition coefficients, and Henry’s law constants of BFRs have also been measured or estimated, and we have previously reported experimentally determined properties other than vapor pressure for TBBPA, brominated phenols, brominated benzenes, and PBDEs …”

Section: Introductionmentioning

confidence: 99%

Measurement of Vapor Pressures and Melting Properties of Five Polybrominated Aromatic Flame Retardants

et al. 2018

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While vapor pressure is among the most important properties used in the environmental fate assessment of organic contaminants, measured vapor pressures exist only for a few representatives of the group of novel brominated flame retardants (BFRs). To expand on this limited set of data, the vapor pressures of five BFRs1,2,4,5,-tetrabromo-dimethylbenzene (TBX), 1,2,3,4,5-pentabromo-6-methyl-benzene (PBT), 1,2,3,4,5-pentabromo-6-ethyl-benzene (PBEB), 2,3,4,5,6-pentabromo-phenol (PBP), and 1,3,5-tribromo-2(2,3-dibromopropoxy)-benzene (TBP-DBPE)were measured in the temperature range 322.7–367.7 K with the gas saturation method. Enthalpies of sublimation or vaporization were determined from the slopes of semilogarithmic plots of measured vapor pressure against reciprocal temperature. The melting temperature and enthalpy of fusion were measured using differential scanning calorimetry. From these experimental data, the vapor pressures and subcooled liquid vapor pressures at 298.2 K, p i ° and p i °,sl, respectively, were derived and compared with values estimated using group contribution methods, polyparameter linear free energy relationships, as well as EPISuite, SPARC, and COSMOtherm. Depending on the method and compound, deviations between measured and estimated log(p i °) or log(p i °,sl) values ranged from 8 to 77% of the measured values. The gas/particle partitioning behavior of the five BFRs was estimated using the measured p i °,sl values and the Junge–Pankow model. This estimation could account for the observed partitioning behavior of PBT and TBP-DBPE.

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Section: Introductionmentioning

confidence: 99%

Measurement of Vapor Pressures and Melting Properties of Five Polybrominated Aromatic Flame Retardants

et al. 2018

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“…For over a decade, we have been focusing deep attention on the thermochemistry of phenolic compounds. This paper is a contribution to the thermochemical investigation of halophenols, carried out by the Molecular Energetics Research Group of the University of Porto, following the studies of mono and dichlorophenols, , mono- and difluorophenols, , and mono- and dibromophenols. , In this paper, we present the calorimetric determination of the standard molar enthalpies of combustion, sublimation, and formation in the condensed and gas-phases of the 2-, 3-, and 4-iodophenol isomers (Figure ).…”

Section: Introductionmentioning

confidence: 99%

Experimental and Computational Thermochemical Study of the Three Monoiodophenol Isomers

Ferreira

Silva

2011

J. Chem. Eng. Data

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A group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298K

Gharagheizi

Ilani-Kashkouli

Acree

et al. 2013

Fluid Phase Equilibria

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This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. Abstract  The sublimation enthalpy provides a measure of molecular interactions in the solid phase. Practical applications involving sublimation enthalpies include the estimation of the crystal lattice energy of molecular crystals, estimation of the enthalpy of solvation of crystalline organic compounds, and prediction of the environmental fate and vapor pressures of solid compounds. Recently an extensive compilation of phase change enthalpies, including sublimation enthalpies of pure organic and organometallic compounds, was published [1]. This collection of sublimation enthalpies for 1269 compounds at the standard temperature of 298.15 K was used in this study for the development of a predictive model. The compounds in the collection are composed of carbon, hydrogen, nitrogen, oxygen, phosphorous, sulfur, fluorine, chlorine, bromine, and iodine. This paper presents a reliable group contribution model for the estimation of the sublimation enthalpies of organic compounds. The group contribution model developed is able to predict the standard molar enthalpies of sublimation to within an average absolute relative deviation of 6.4%, which is of sufficient accuracy for many practical applications.

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Thermochemical study of three dibromophenol isomers

Cited by 10 publications

References 44 publications

Measurement of Vapor Pressures and Melting Properties of Five Polybrominated Aromatic Flame Retardants

Measurement of Vapor Pressures and Melting Properties of Five Polybrominated Aromatic Flame Retardants

Experimental and Computational Thermochemical Study of the Three Monoiodophenol Isomers

A group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298K

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