ABSTRACT

The standard molar energies of combustion (cr, 298.15 K) of 7-hydroxy-4-methylcoumarin, 7-ethoxy- 4-methylcoumarin, and 6-methoxy-4-methylcoumarin were obtained by combustion calorimetry. The experimental values are ( 4536.4 +- 2.2), ( 5888.0 +- 3.2), and ( 5267.3 +- 2.3) kJ mol-1, respectively. From these values, the standard molar enthalpies of formation in the crystalline phase were calculated and found to be ( 540.8 +- 2.6), ( 545.4 +- 3.6), and ( 488.0 +- 2.7) kJ mol-1, respectively.

Compounds

#	Formula	Name
1	CO2	carbon dioxide
2	H2O	water
3	O2	oxygen
4	H2	hydrogen
5	C	graphite
6	C10H8O3	7-hydroxy-4-methyl-2H-chromen-2-one
7	C12H12O3	7-ethoxy-4-methyl-2H-chromen-2-one
8	C11H10O3	6-methoxy-4-methylcoumarin

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	6	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	6	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal	Crystal	Large sample (1 g) DSC	1
POMD	6	Solid-liquid equilibrium temperature, K ; Crystal	Pressure, kPa; Crystal	Crystal Liquid	DTA	1
POMD	7	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	7	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal	Crystal	Large sample (1 g) DSC	1
POMD	7	Solid-liquid equilibrium temperature, K ; Crystal	Pressure, kPa; Crystal	Crystal Liquid	DTA	1
POMD	8	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	8	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal	Crystal	Large sample (1 g) DSC	1
POMD	8	Solid-liquid equilibrium temperature, K ; Crystal	Pressure, kPa; Crystal	Crystal Liquid	DTA	1
RXND	6 1 2 3	Specific internal energy of reaction at constant volume, J/g			Micro-bomb calorimetry	1
RXND	7 1 2 3	Specific internal energy of reaction at constant volume, J/g			Micro-bomb calorimetry	1
RXND	8 1 2 3	Specific internal energy of reaction at constant volume, J/g			Micro-bomb calorimetry	1
RXND	6 4 5 3	Molar enthalpy of reaction, kJ/mol			Micro-bomb calorimetry	1
RXND	7 4 5 3	Molar enthalpy of reaction, kJ/mol			Micro-bomb calorimetry	1
RXND	8 4 5 3	Molar enthalpy of reaction, kJ/mol			Micro-bomb calorimetry	1

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Standard molar enthalpies of formation in the crystalline phase of 7-hydroxy-4-methylcoumarin, 7-ethoxy-4-methylcoumarin, and 6-methoxy-4-methylcoumarin

Amador, P.[Patricia], Pineda, B.[Brenda], Lopez, A.[Abelmar], Flores, H.[Henoc]

ABSTRACT