Heats of Combustion of the Five-Carbon Fatty Acids and their Methyl and Ethyl Esters

Hancock, C. Kinney; Watson, George M.; Gilby, Ralph F.

doi:10.1021/j150512a007

Cited by 29 publications

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“…The previous (2) determinations of the standard molar enthalpies of combustion of 2,2-diMeProp and 3-MeBut, −(2832.2 ± 5.9) kJ · mol −1 and −(2835.1 ± 5.9) kJ · mol −1 , respectively, are in reasonable agreement, within the associated uncertainties, with those reported here. However, the uncertainities are considerably reduced.…”

Section: Discussionsupporting

confidence: 89%

“…This last combustion result has been shown to be unreliable; Lebedeva, (4) in 1964, reported −(2836.5 ± 0.7) kJ · mol −1 and Adriaanse et al, (5) in 1965, gave −(2838.0 ± 0.6) kJ · mol −1 ; these authors used samples of high purity and made tests to establish completeness of combustion. Hence, the results of Hancock et al (2) must be regarded with some caution. Since carboxylic acids are very reactive species, it is important to have not only very accurate but also very precise values for their standard molar enthalpies of formation, which are key values on the thermochemical reactions involving these compounds.…”

Section: Introductionmentioning

confidence: 91%

“…Previous determinations of the standard molar enthalpies of formation f H o m of branched alkyl chain monocarboxylic acids are limited to 2-methylbutanoic acid, (2) a To whom correspondence should be addressed (E-mail: risilva@fc.up.pt). b (E-mail: mlferrao@fc.up.pt).…”

Section: Introductionmentioning

confidence: 99%

“…3-methylbutanoic acid, (2) 2,2-dimethylpropanoic acid, (2) and 2-ethylhexanoic acid. (3) The present paper reports the standard molar enthalpy of formation of 2-methylpropanoic acid (2-MeProp), which was derived from the standard molar enthalpy of combustion in oxygen, measured by static bomb calorimetry, as well as the redetermination of the standard molar enthalpies of combustion c H o m of 2,2-dimethylpropanoic (2,2-diMeProp) and 3-methylbutanoic (3-MeBut) acids, since the available literature values have a large uncertainty ascribed to them.…”

Section: Introductionmentioning

confidence: 99%

“…Name and abbreviation2-Methylpropanoic acid (2-MeProp) 2185.29 ± 0.83 2,2-Dimethylpropanoic acid (2, 2828.76 ± 0.90 3-Methylbutanoic acid 2833.51 ± 0.62The standard molar enthalpies of formation at T = 298.15 K of the gaseous carboxylic acids were derived using literature values of their standard molar enthalpies of sublimation or vaporization. …”

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confidence: 99%

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Standard molar enthalpies of formation of three branched alkyl carboxylic acids

Silva

Ferrão

Silva

1999

The Journal of Chemical Thermodynamics

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Section: Discussionsupporting

confidence: 89%

Section: Introductionmentioning

confidence: 91%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

mentioning

confidence: 99%

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Standard molar enthalpies of formation of three branched alkyl carboxylic acids

Silva

Ferrão

Silva

1999

The Journal of Chemical Thermodynamics

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Group Additive Values for the Gas‐Phase Standard Enthalpy of Formation, Entropy and Heat Capacity of Oxygenates

Paraskevas

Sabbe

Reyniers

et al. 2013

Chemistry A European J

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A complete and consistent set of 60 Benson group additive values (GAVs) for oxygenate molecules and 97 GAVs for oxygenate radicals is provided, which allow to describe their standard enthalpies of formation, entropies and heat capacities. Approximately half of the GAVs for oxygenate molecules and the majority of the GAVs for oxygenate radicals have not been reported before. The values are derived from an extensive and accurate database of thermochemical data obtained by ab initio calculations at the CBS-QB3 level of theory for 202 molecules and 248 radicals. These compounds include saturated and unsaturated, α- and β-branched, mono- and bifunctional oxygenates. Internal rotations were accounted for by using one-dimensional hindered rotor corrections. The accuracy of the database was further improved by adding bond additive corrections to the CBS-QB3 standard enthalpies of formation. Furthermore, 14 corrections for non-nearest-neighbor interactions (NNI) were introduced for molecules and 12 for radicals. The validity of the constructed group additive model was established by comparing the predicted values with both ab initio calculated values and experimental data for oxygenates and oxygenate radicals. The group additive method predicts standard enthalpies of formation, entropies, and heat capacities with chemical accuracy, respectively, within 4 kJ mol(-1) and 4 J mol(-1) K(-1) for both ab initio calculated and experimental values. As an alternative, the hydrogen bond increment (HBI) method developed by Lay et al. (T. H. Lay, J. W. Bozzelli, A. M. Dean, E. R. Ritter, J. Phys. Chem.- 1995, 99, 14514) was used to introduce 77 new HBI structures and to calculate their thermodynamic parameters (Δ(f)H°, S°, C(p)°). The GAVs reported in this work can be reliably used for the prediction of thermochemical data for large oxygenate compounds, combining rapid prediction with wide-ranging application.

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Fortschritte der Verfahrenstechnik. Thermodynamik

Schmidt

1957

Chemie Ingenieur Technik

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Im Aufsatzteil unserer Zeitschrift 1954 (Seite 465) haben wir das Buch Jortschritte der Verfahrenstechnik" angekundigt, welches die ingenieurwissenschaftliche Abteilung der Farbenfabriken Buyer AG. Leverkusen unter der Schriftleitung von Dr.-lng. H. Miessner und Dr.-lng. U. Grigull f u r die Jahre 1952153 im Verlag Chemie herausgebracht hat. Demnachst wird der zweite Band erscheinen, der die Jahre 195465 berucksichtigt. Auch diesmal legen wir einen Beitrag daraus vor, dessen Therna und Darstellungsweise den besten Eindruck davon vermittelt, wie dieses dem Verfahrenstechniker unentbehrliche ,,Jahrbuch" seine Aufgabe bewaltigt. Die besten Autoren aus Wissenschaft und lndustrie haben daran rnitgearbeitet. Die Schriftleitung Thermodynami k Von Prof. Dr.-Ing. Dr. rer. nut. h. c. ERNST SCHMIDT, Technische Hochschule Miinchen Diese Ubersicht bezieht sich im wesentlichen auf Veroffentlichungen der Jahre 1954 und 1955. Da der erste Band dieses Jahrbuches keinen Abschnitt iiber Thermodynamik enthielt, sind auch einige altere Arbeiten mit aufgenommen. Auf die im Schrifttum angefiihrten fruheren Zusammenfassungen von Smith36) und von Bennett und Smithla) sei hingewiesen.Im ersten Abschnitt sind die in Buchform erschienenen Darstellungen der Thermodynamik behandelt. Die neuen internationalen Vereinbarungen iiber MaDsysteme und Einheiten werden erortert, und es wird auf neuere Entwicklungslinien, insbesondere auf die sogenannte ,,irreversible Thermodynamik", kurz eingegangen.Der zweite Abschnitt ist in der Hauptsache den thermodynamischen Eigenschaften der Stoffe gewidmet, sein letztes Kapitel behandelt einige Fragen der Energiegewinnung.Die Schrifttumsiibersicht ist ZUT Erleichterung gruppenweise gegliedert, dabei ist jede Arbeit nur einmal aufgefuhrt, auch wenn ihr Inhalt unter mehrere Gruppentitel passen wiirde. In den einzelnen Gruppen sind die Schrifttumsangaben alphabetisch nach Verfassern geordnet.

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Heats of Combustion of the Five-Carbon Fatty Acids and their Methyl and Ethyl Esters

Cited by 29 publications

References 0 publications

Standard molar enthalpies of formation of three branched alkyl carboxylic acids

Standard molar enthalpies of formation of three branched alkyl carboxylic acids

Group Additive Values for the Gas‐Phase Standard Enthalpy of Formation, Entropy and Heat Capacity of Oxygenates

Fortschritte der Verfahrenstechnik. Thermodynamik

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