Experimental and calculated thermodynamic data for the isomeric methylcyclohexenes and methylenecyclohexane

✍ Scribed by M. Peereboom; B. van de Graaf; J. M. A. Baas

• Book ID: 104588451
• Publisher: Elsevier Science
• Year: 2010
• Tongue: English
• Weight: 295 KB
• Volume: 101
• Category: Article
• ISSN: 0165-0513
• DOI: 10.1002/recl.19821011003

✦ Synopsis

Abstract

The equilibria in the isomerisation of the methylcyclohexenes and methylenecyclohexane have been investigated in the temperature range of 413 to 523 K. Δ~r~H and Δ~r~S have been calculated from the experimental data for the following equilibria: methylenecyclohexane ⇄ 1‐methylcyclohexene, 3‐methylcyclohexene ⇄ 1‐methylcyclohexene and 4‐methylcyclohexene ⇄ 1‐methylcyclohexene. The resulting values for Δ~r~H and Δ~r~S are respectively: 7.3 ± 1.7, 7.6 ± 0.5, and 6.7 ± 0.4 kJ mol^−1^ and −15.9 ± 0.3, 1.0 ± 1.6 and 1.5 ± 1.4 J mol^−1^K^−1^. These data are compared with values calculated using molecular mechanics.