ABSTRACT

Values of the standard (p = 0.1 MPa) massic energy of combustion in oxygen, at T = 298.15 K, for (S)-(+)- 3,5-Dinitro-N-(1-phenylethyl)benzamide (S+DPB) and (R)-(-)-3,5-Dinitro-N-(1-phenylethyl)benzamide (R-DPB) were measured by using an isoperibolic micro-combustion calorimeter. The calorimeter was calibrated and tested recently in our laboratory. The massic energies of enantiomers were used to derive the standard molar enthalpy of formation in condensate phase, of S+DPB, (-26.86 +- 2.89) kJ/ mol and R-DPB (-25.15 +- 2.90) kJ/ mol. Polyethene bags were used as an auxiliary material in the combustion experiments.

Compounds

#	Formula	Name
1	CO2	carbon dioxide
2	N2	nitrogen
3	H2O	water
4	C15H13N3O5	(S)-(+)-3,5-dinitro-N-(1-phenylethyl)benzamide
5	C15H13N3O5	(R)-(-)-3,5-dinitro-N-(1-phenylethyl)benzamide
6	O2	oxygen

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	Mass density, kg/m3 ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal	Crystal	OTHER: mass to volumesMethod:from the ratio mass/volume of a pelletFP	1
POMD	5	Mass density, kg/m3 ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal	Crystal	OTHER: mass to volumesMethod	1
RXND	4 1 2 3 6	Specific internal energy of reaction at constant volume, J/g			Micro-bomb calorimetry	1
RXND	5 1 2 3 6	Specific internal energy of reaction at constant volume, J/g			Micro-bomb calorimetry	1

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Standard molar enthalpy of combustion and formation of enantiomers: (S)-(+)-3,5-Dinitro-N-(1-phenylethyl)benzamide and (R)-(-)-3,5-Dinitro-N-(1-phenylethyl)benzamide

Mentado, J.[Juan]

ABSTRACT