Bond Energy/Group Contribution Methods of Calculating the Standard Heat of Formation: Development of a New Generalized Bond-Energy Scheme for Monomers and Polymers. Part II. Hydrocarbons
- 1 July 1971
- journal article
- research article
- Published by Taylor & Francis in Journal of Macromolecular Science: Part A - Chemistry
- Vol. 5 (4) , 687-734
- https://doi.org/10.1080/00222337108061054
Abstract
A new bond-energy scheme is developed for calculating the heats of formation (ideal gas, 298°K, 1 atm) of alkenes, alkadienes, alkynes, and aromatic hydrocarbons, in continuation of the earlier part of the scheme for alkanes. The over-all precision is about ±0.5 kcal/mole and the scheme is easily applicable to polymers. Both the C–H and C–C bond-energy terms fulfill a linear relationship in respect of the bond strength vs. the bond length, for which least-square equations have been derived. A few other earlier bond energy/group contribution methods are compared with the present scheme, treating all available experimental data reported in literature on about 200 hydrocarbons including 10 polymers.Keywords
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