Selected Values of Heats of Combustion and Heats of Formation of Organic Compounds Containing the Elements C, H, N, O, P, and S.

Eugene S. Domalski

doi:10.1063/1.3253099

Selected Values of Heats of Combustion and Heats of Formation of Organic Compounds Containing the Elements C, H, N, O, P, and S.

Journal of Physical and Chemical Reference Data ◽

10.1063/1.3253099 ◽

1972 ◽

Vol 1 (2) ◽

pp. 221-277 ◽

Cited By ~ 149

Author(s):

Eugene S. Domalski

Keyword(s):

Organic Compounds ◽

Heats Of Formation ◽

Heats Of Combustion

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Enthalpies of Formation of Some Gaseous Molecules, Atoms, and Free Radicals at 298 KaaUnless otherwise indicated, from D. R. Lide, CRC Handbook of Chemistry and Physics, 79th ed., CRC Press, Boca Raton, FL, 1998/1999, and Atkinson et al., J. Phys. Chem. Ref. Data, 26, 1329–1499 (1997).ccFor estimating heats of formation of other stable species, use group additivity methods described by S. W. Benson, Thermochemical Kinetics, Wiley, New York, 1976, see review of N. Cohen and S. W. Benson for organic compounds [“Estimation of Heats of Formation of Organic Compounds by Additivity Methods,” Chem. Rev., 93, 2419–2438 (1993)], and the paper by C.-J. Chen, D. Wong, and J. W. Bozzelli for chlorinated alkanes and alkenes [“Standard Chemical Thermodynamic Properties of Multichloro Alkanes and Alkenes: A Modified Group Additivity Scheme,” J. Phys. Chem. A, 102, 4551–4558 (1998)]. Application of group additivity to C2–C6 alkyl radicals is discussed by N. Cohen [“Thermochemistry of Alkyl for Radicals,” J. Phys. Chem., 96, 9052–9058 (1992)].

Chemistry of the Upper and Lower Atmosphere ◽

10.1016/b978-012257060-5/50019-8 ◽

2000 ◽

pp. 943-944

Keyword(s):

New York ◽

Free Radicals ◽

Thermodynamic Properties ◽

Organic Compounds ◽

Heats Of Formation ◽

Enthalpies Of Formation ◽

Group Additivity ◽

Alkyl Radicals ◽

Stable Species ◽

Chlorinated Alkanes

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Heats of Combustion of Some Peroxides and the Heats of Formation of Acetate, Propionate, and Butyrate Radicals

The Journal of Chemical Physics ◽

10.1063/1.1743738 ◽

1957 ◽

Vol 27 (2) ◽

pp. 416-420 ◽

Cited By ~ 34

Author(s):

L. Jaffe ◽

E. J. Prosen ◽

M. Szwarc

Keyword(s):

Heats Of Formation ◽

Heats Of Combustion

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Erratum: Heats of Combustion of Some Peroxides and the Heats of Formation of Acetate, Propionate, and Butyrate Radicals

The Journal of Chemical Physics ◽

10.1063/1.1744128 ◽

1958 ◽

Vol 28 (2) ◽

pp. 355-355

Author(s):

I. Jaffe ◽

E. J. Prosen ◽

M. Szwarc

Keyword(s):

Heats Of Formation ◽

Heats Of Combustion

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Heats of Combustion of Organic Compounds

Industrial & Engineering Chemistry ◽

10.1021/ie50560a039 ◽

1956 ◽

Vol 48 (8) ◽

pp. 1366-1374 ◽

Cited By ~ 17

Author(s):

G. Richard. Handrick

Keyword(s):

Organic Compounds ◽

Heats Of Combustion

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Heats of Formation of Organic Compounds by a Simple Calculation

The Journal of Organic Chemistry ◽

10.1021/jo1012898 ◽

2010 ◽

Vol 75 (19) ◽

pp. 6502-6515 ◽

Cited By ~ 8

Author(s):

Andreas A. Zavitsas ◽

Donald W. Rogers ◽

Nikita Matsunaga

Keyword(s):

Organic Compounds ◽

Simple Calculation ◽

Heats Of Formation

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The heats of combustion of organic compounds of nitrogen. Part 1. Ethyl, n-propyl, and isopropyl nitrates

Transactions of the Faraday Society ◽

10.1039/tf9575300779 ◽

1957 ◽

Vol 53 ◽

pp. 779 ◽

Cited By ~ 4

Author(s):

D. M. Fairbrother ◽

H. A. Skinner ◽

F. W. Evans

Keyword(s):

Organic Compounds ◽

Heats Of Combustion

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Heats of Combustion and Formation of Some Organic Compounds Containing Oxygen

The Journal of Chemical Physics ◽

10.1063/1.1747444 ◽

1950 ◽

Vol 18 (1) ◽

pp. 152-153 ◽

Cited By ~ 16

Author(s):

George S. Parks ◽

John R. Mosley ◽

Peter V. Peterson

Keyword(s):

Organic Compounds ◽

Heats Of Combustion

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A SYSTEM OF MOLECULAR THERMOCHEMISTRY FOR ORGANIC GASES AND LIQUIDS

Canadian Journal of Chemistry ◽

10.1139/v56-086 ◽

1956 ◽

Vol 34 (5) ◽

pp. 626-648 ◽

Cited By ~ 76

Author(s):

Keith J. Laidler

Keyword(s):

Hydrogen Bonds ◽

Heats Of Formation ◽

Multiple Bonds ◽

Aromatic Molecules ◽

Tertiary Carbon ◽

Systematic Effects ◽

Heats Of Combustion ◽

Organic Gases ◽

Heats Of Vaporization ◽

Good Agreement

An analysis has been made of the heats of formation and combustion of organic gases and liquids, and of the heats of vaporization of liquids. The work has been done as far as possible with homologous series, in order to discover systematic effects. The data are converted into heats of atomization, i.e., the heats required to convert the gases or liquids into their constituent atoms. It is shown that the heats of atomization of the gaseous aliphatic hydrocarbons (paraffins, olefins, and acetylenes) can be accurately represented by a scheme in which a distinction is made between primary, secondary, and tertiary carbon–hydrogen bonds, and between bonds that are next to, and next but one to, multiple bonds. For aromatic molecules an appropriate correction for resonance is proposed. For other types of compound it is found that suitable values for the various bonds (e.g., C–CHO, C–OH) will give rise to good agreement with experiment.It is shown that to a reliable approximation heats of vaporization are also amenable to the same treatment. Since this is so it is possible to assign bond values on the basis of which it is possible to make predictions about heats of formation of liquids.A system of coefficients is worked out by means of which the numbers of atoms of various kinds in a molecule can be expressed in terms of the numbers of the different kinds of bonds. On the basis of these it is shown how bond contributions to heats of formation and heats of combustion can be calculated. A table (Table X) gives the contributions proposed for the heats of atomization, heats of formation, and heats of combustion for both gases and liquids.

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