Thermodynamics of the Isomerization of Monoterpene Epoxides.

ABSTRACT: In this contribution, the thermodynamic analysis of α- and β-pinene epoxide isomerization over Fe and Cu supported on MCM-41 is presented using computational chemistry and group contribution methods (GCMs). Some physical-chemical data (T _c, P _c, v _c, Z _c, ω, T _b, T _fus) and thermodynamic (S°_298.15, C _p,298.15 ^°, C _v,298.15 ^°, ΔH _f,298.15 ^°, ΔG _f,298.15 ^°, ΔH _vb ^°, ΔH _fus, C _pL) properties obtained by different GCMs are reported for several monoterpenes and monoterpenoids, which significan

SUBMITTER: Sanchez-Velandia JE 

PROVIDER: S-EPMC8697005 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature