The Heat of Formation of Sulphuric Acid.

Månsson, Margret; Sunner, Stig; Wiberg, Örjan

doi:10.3891/acta.chem.scand.17-0723

Cited by 16 publications

(6 citation statements)

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“…Comparison with Previous Work. Five of the compounds were studied earlier by H. Mackle and co-workers (10)(11)(12)(13)(14)(15)(16)(17)(18). A comparison of the earlier values of enthalpies of formation in the liquid state with those of this research is given in Table VI.…”

Section: Discussionmentioning

confidence: 99%

Enthalpies of combustion of 18 organic sulfur compounds related to petroleum

Good¹

1972

J. Chem. Eng. Data

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Enthalpies of combustion measured by rotating-bomb combustion calorimetry are given for 18 organic sulfur compounds including thiols, sulfides, thiophenes, and a disulfide selected for a comprehensive study of their thermodynamic properties. Values of the enthalpy of formation of the condensed phase are derived. Enthalpies of vaporization and enthalpies of formation in the gaseous state are derived for 15 of the compounds. Values of enthalpy of atomization are compared with values predicted by a correlation procedure.

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Section: Discussionmentioning

confidence: 99%

Enthalpies of combustion of 18 organic sulfur compounds related to petroleum

Good¹

1972

J. Chem. Eng. Data

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“…Thus the final fitting set includes 45 species for the elements hydrogen, carbon nitrogen, and oxygen. A further 48 species include for the inclusion of fluorine and chlorine and 13 bromine compounds .…”

Section: Methodsmentioning

confidence: 99%

Generalized Prediction of Enthalpies of Formation Using DLPNO‐CCSD(T) Ab Initio Calculations for Molecules Containing the Elements H, C, N, O, F, S, Cl, Br

et al. 2019

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The prediction of thermochemical properties such as enthalpies of formation is of crucial importance, both in research and industrial applications, especially for systems involving not well‐characterized molecules, such as biomass systems (bio‐oils), or systems involving new compounds (new‐generation refrigerants). It is highly desirable to obtain an efficient method by which these values can be predicted. Ab initio‐based calculations can be very accurate for predicting gas phase thermochemical properties and are usually more versatile than group contribution methods. In this work, we propose a general extension of the work of Paulechka and Kazakov, using very accurate and efficient domain‐based local pair natural orbital‐coupled cluster theory ab initio calculations, to determine the enthalpies of formation of a broad variety of molecules. New sets of regressed atomic contributions are proposed for a larger group of elements: H, C, N, O, F, S, Cl, and Br. Excellent predictions are obtained for the most studied compounds (bio‐oil compounds and refrigerants). © 2019 Wiley Periodicals, Inc.

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“…from measurements of the heat of hydrolysis of acetic anhydride and the heat of reaction of acetic anhydride with aniline. Mlll1sson and Sunner [8] measured the enthalpy of co mbustion of urea using paraffin oil as an auxiliary and obtained 150.89 ±0.02 kcal/mol. Their data agrees well with that obtained by Huffman [9] who used a similar auxiliary material and obtained -150.99 ± 0_04 kcal/mol.…”

Section: Results and Calculationsmentioning

confidence: 99%

The enthalpies of combustion and formation of acetanilide and urea

Johnson¹

1975

J. RES. NATL. BUR. STAN. SECT. A.

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Th e e nth a lpi es of co mbu stion of ace ta nilid e a nd urea have bee n dete rmin ed in a n oxyge n·bo mb ca lo rim ete r. Th e foll ow in g val ues a nd th eir es timated un ce rt aint ies we re obtain ed. Acetan iud e UreaAHcO ( A co mpari so n with prev iou sly re port ed da ta is give n.Key word s: Co mbu s ti o n; e nthalpy; formation; he a t; seco nd a ry s tand a rd : th e rm oc hem ica l s ta nd ard.

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The Heat of Formation of Sulphuric Acid.

Cited by 16 publications

References 0 publications

Enthalpies of combustion of 18 organic sulfur compounds related to petroleum

Enthalpies of combustion of 18 organic sulfur compounds related to petroleum

Generalized Prediction of Enthalpies of Formation Using DLPNO‐CCSD(T) Ab Initio Calculations for Molecules Containing the Elements H, C, N, O, F, S, Cl, Br

The enthalpies of combustion and formation of acetanilide and urea

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