Enthalpies of Vaporization of Organic and Organometallic Compounds, 1880–2002

Chickos, James S.; Acree, William E.

doi:10.1063/1.1529214

Cited by 495 publications

(393 citation statements)

References 9 publications

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“…33.72 1.81 10727 619 1 / ; 0.984 ) 9 ( P Pa T R Sublimation enthalpy of benzoic acid, calculated from the equation, is equal to 89.2±5.1 kJ/mol (T sub =343 K) and is in good accordance with the recommended value: 90.1±0.6 kJ/mol (T sub =353K) from [11].…”

Section: Figure 2 Synthesis Of the Investigated Compoundssupporting

confidence: 74%

Thermodynamic Properties of Solubility for Nitrophenyl Derivatives of Furfural Oxime in Organic Solvents

Marshalek¹,

Собечко²,

Horak³

et al. 2017

MOCR

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Abstract. Enthalpies and entropies of dissolution in acetonitrile, propan-2-ol and ethyl acetate were determined from the results of temperature dependence of solubility for 5-(2-nitro phenyl)-2-furyl oxime, 5-(3-nitro phenyl)-2-furyl oxime and 5-(4-nitro phenyl)-2-furyl oxime. Sublimation enthalpies and entropies were determined using integral effusion Knudsen method; adjustment of these values to 298K was conducted. Using these values the thermodynamic properties of solvation in the investigated systems were calculated. The influence of physical properties of the solvent on dissolution of the investigated compounds was analyzed.Keywords: 5-(2-nitro phenyl)-2-furyl oxime, enthalpy, entropy, solubility, sublimation, solvation IntroductionHeterocyclic compounds are very common in nature. Most of them take part in biological processes. Phenyl-furanic fragment is present in a lot of substances which develop a wide range of biological activity. Lately, functional compounds with phenyl-furanic fragment are widely used in multi-component reactions that allow optimizing the resource usage and conducing the green chemistry concept. Most of the parameters for the processes of syntheses for these compounds were chosen using the method of probes and mistakes. Determination of thermodynamic properties for compounds with phenyl-furanic fragment allows to calculate energetic properties of their molecules and to decrease the energy usage at separate stages of processes of their synthesis, purification and use. Investigated in the current work furfural oximes are used as soil nitrification inhibitors [8] properties. Most processes with their participation take place in solvents. That's why thermodynamic properties of furfural oxime and its nitrophenyl derivatives solubility are needed for optimization and calculation of energy balances for processes of synthesis, purification and application of these compounds, which has become the main aim of this work.

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Section: Figure 2 Synthesis Of the Investigated Compoundssupporting

confidence: 74%

Thermodynamic Properties of Solubility for Nitrophenyl Derivatives of Furfural Oxime in Organic Solvents

Marshalek¹,

Собечко²,

Horak³

et al. 2017

MOCR

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“…Likewise, the activation energies calculated for the vaporization of BL (63.7 kJ/mol), KG1 (71.1 kJ/mol), KG2 (77 kJ/mol), and PBO (78 kJ/mol) in air were similar to the vaporization enthalpies for representative substances of these oil cuts (viz. undecane, tetradecane and hexadecane, with 60.0, 71.2 and 81.8 kJ/mol, respectively) [21]. As expected, the activation energies calculated for the cracking process were significantly higher than that for the vaporization process.…”

Section: Thermal Degradation Simulationsupporting

confidence: 52%

Thermogravimetric monitoring of oil refinery sludge

Barneto

Moltó

Ariza

et al. 2014

Journal of Analytical and Applied Pyrolysis

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The present work has two dimensions: analytical and environmental. On the one hand we proved that thermogravimetric analysis can be used to perform fast characterization of oil refinery sludge. To this end, thermogravimetric curves were deconvoluted by using autocatalytic kinetics to take into account acceleratory phases in a thermal degradation performed in oxygen-containing atmosphere or at high heating rates. Based on thermogravimetric results, oil refinery sludge was modeled in terms of various fractions (pseudo-components) which degrade as major oil cuts. On the other hand, as an alternative to landfill, we have seen that Soxhlet extraction allows recovery almost half of the weight of sludge as a mixture of hydrocarbons, similar to gas-oil, which burns without residue. This ensures both, waste inerting and significant reduction in sludge volume.

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“…The latter data were determined by either direct calorimetric methods or calculated on the basis of the temperature dependence of measured infinite dilution activity coefficient data, and the published values were converted to gas-to-water and/or gas-to-octanol enthalpies of transfer by subtracting the solute's standard molar enthalpy of vaporization, 70 ∆ Vap H 298K°, or standard molar enthalpy of sublimation, 71 ∆ Sub H 298K°, at 298.15 K.…”

Section: Experimental Methodsmentioning

confidence: 99%

Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Water and in 1-Octanol Based on the Abraham Model

Mintz

Clark

Acree

et al. 2006

J. Chem. Inf. Model.

116

102

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Data have been assembled on the enthalpies of solvation of 373 compounds in water and 138 compounds in 1-octanol. It is shown that an Abraham solvation equation with five descriptors can be used to correlate the experimental solvation enthalpies to within standard deviations of 3.68 kJ/mol (water) and 2.66 kJ/mol (1-octanol). The derived correlations provide very accurate mathematical descriptions of the observed enthalpies of solvation, which in the case of water span a range of 150 kJ/mol. Division of the experimental values into a training set and a test set shows that there is no bias in predictions and that the predictive capability of the correlations is better than 4 kJ/mol.

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Enthalpies of Vaporization of Organic and Organometallic Compounds, 1880–2002

Cited by 495 publications

References 9 publications

Thermodynamic Properties of Solubility for Nitrophenyl Derivatives of Furfural Oxime in Organic Solvents

Thermodynamic Properties of Solubility for Nitrophenyl Derivatives of Furfural Oxime in Organic Solvents

Thermogravimetric monitoring of oil refinery sludge

Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Water and in 1-Octanol Based on the Abraham Model

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