Concerning the heat of formation of the isopropyl radical
Journal Article
·
· Journal of the American Chemical Society; (USA)
- Univ. of Calgary, Alberta (Canada)
The heat of formation of the isopropyl radical has been reevaluated using the third-law method and kinetic data for the reactions i-C{sub 3}H{sub 7} {r equilibrium} C{sub 3}H{sub 6} + H and 2i-C{sub 3}H{sub 7} {r equilibrium} 2,3-DMB. The result of {Delta}H{sub f}{sup 0}{sub 298} (i-C{sub 3}H{sub 7}) = 21.0 {plus minus} 0.5 kcal mol{sup {minus}1} agrees with a recent bromination equilibrium study and is consistent with a small barrier ({approx} 1 kcal mol{sup {minus}1}) for internal rotation for each of the two CH{sub 3} groups as found in an ab initio geometry optimization study.
- OSTI ID:
- 7157193
- Journal Information:
- Journal of the American Chemical Society; (USA), Journal Name: Journal of the American Chemical Society; (USA) Vol. 111:25; ISSN 0002-7863; ISSN JACSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
10 SYNTHETIC FUELS
100300 -- Synthetic Fuels-- Properties & Composition-- (1990-)
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400000* -- Chemistry
400201 -- Chemical & Physicochemical Properties
ALKYL RADICALS
DATA
DATA ANALYSIS
ENTHALPY
EXPERIMENTAL DATA
FORMATION HEAT
INFORMATION
ISOPROPYL RADICALS
KINETICS
MEASURING INSTRUMENTS
MEASURING METHODS
NUMERICAL DATA
PHYSICAL PROPERTIES
RADICALS
REACTION HEAT
REACTION KINETICS
THERMODYNAMIC PROPERTIES
100300 -- Synthetic Fuels-- Properties & Composition-- (1990-)
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400000* -- Chemistry
400201 -- Chemical & Physicochemical Properties
ALKYL RADICALS
DATA
DATA ANALYSIS
ENTHALPY
EXPERIMENTAL DATA
FORMATION HEAT
INFORMATION
ISOPROPYL RADICALS
KINETICS
MEASURING INSTRUMENTS
MEASURING METHODS
NUMERICAL DATA
PHYSICAL PROPERTIES
RADICALS
REACTION HEAT
REACTION KINETICS
THERMODYNAMIC PROPERTIES