ABSTRACT

A thermochemical study of the p-benzoquinone and the duroquinone has been performed by different calorimetric techniques. Applying heat flux calorimetry and differential scanning calorimetry, the enthalpies of fusion for each substance were measured. Enthalpies of combustion in condensed phase were determined by static bomb combustion calorimetry hence the enthalpies of formation in solid phase were derived. Data of enthalpy of sublimation of both compounds were obtained by d.s.c. and independently by using a quartz crystal microbalance, and then applied to derive the enthalpy of formation in gas phase of these benzoquinones. From this set of experimental data, resonance, isodesmic, and homodesmotic stabilization energies were computed. Results made it possible to elucidate that the p-benzoquinone is antiaromatic while the duroquinone is an aromatic compound.

Compounds

#	Formula	Name
1	CO2	carbon dioxide
2	H2O	water
3	O2	oxygen
4	C6H4O2	1,4-benzoquinone
5	C10H12O2	1,4-benzoquinone, tetramethyl-

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Phase	Method	#Points
POMD	4	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Gas	DSC	1
POMD	4	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Gas	heat flux calorimetry	1
POMD	4	Triple point temperature, K ; Crystal		Crystal Liquid Gas	heat flux calorimetry	1
POMD	4	Triple point temperature, K ; Crystal		Crystal Liquid Gas	DTA	1
POMD	4	Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal	Temperature, K; Crystal	Crystal Gas	SECLAW:UFactor:2	1
POMD	4	Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal	Temperature, K; Crystal	Crystal Gas	SECLAW:UFactor:2	1
POMD	4	Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal	Temperature, K; Crystal	Crystal Gas	SECLAW:UFactor:2	1
POMD	4	Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal	Temperature, K; Crystal	Crystal Gas	DSC:UFactor:2	1
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Gas	heat flux calorimetry	1
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Gas	DSC	1
POMD	5	Triple point temperature, K ; Crystal		Crystal Liquid Gas	DTA	1
POMD	5	Triple point temperature, K ; Crystal		Crystal Liquid Gas	heat flux calorimetry	1
POMD	5	Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal	Temperature, K; Crystal	Crystal Gas	DSC:UFactor:2	1
POMD	5	Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal	Temperature, K; Crystal	Crystal Gas	SECLAW:UFactor:2	1
POMD	5	Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal	Temperature, K; Crystal	Crystal Gas	SECLAW:UFactor:2	1
RXND	4 1 2 3	Molar internal energy of reaction at constant volume, kJ/mol			Static bomb calorimetry	1
RXND	5 1 2 3	Molar internal energy of reaction at constant volume, kJ/mol			Static bomb calorimetry	1

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermochemistry of benzoquinones

Rojas-Aguilar, A.[Aaron], Flores-Lara, H.[Honorio], Martinez-Herrera, M.[Melchor], Ginez-Carbajal, F.[Francisco]

ABSTRACT