Calorimetric and computational study of enthalpy of formation of 3,6-dibutanoic-1,2,4,5-tetroxane.
A thermochemical a rather simple experimental technique method, is used to determine the enthalpy of the formation of 3,6-dibutanoic-1,2,4,5-tetroxane. The study is complemented with suitable theoretical calculations at the semiempirical and ab initio levels. A particular satisfactory agreement between both ways is found for the ab initio calculation at the 6-311G basis set level. Some possible extensions of the present procedure are pointed out.
Area de Fisicoquímica, Facultad de Ciencias Exactas, Naturales y Agrimensura, Universidad Nacional del Nordeste, Corrientes, Argentina.
J M
JM
Romero
D A
DA
Ayala
N L
NL
Jorge
M E
ME
Gómez-Vara
E A
EA
Castro
A H
AH
Jubert
D002151:Calorimetry / Q000379:methods*; D045568:Tetraoxanes / Q000737:chemistry*; D013816:Thermodynamics
C506352:3,6-dibutanoic-1,2,4,5-tetroxane; D045568:Tetraoxanes