ABSTRACT

The heat capacities of (3,4-dimethoxyphenyl) acetonitrile were measured by a small sample precision automated adiabatic calorimeter over the temperature range from (78 to 399) K. A melting phase transition was observed in the experimental range. The melting temperature, the molar enthalpy, and entropy of the phase transition were determined to be (336.818 ( 0.005) K, (24.72 ( 0.14) kJ * mol-1, and (73.40 ( 0.40) J *K-1 * mol-1. The mole fraction purity of the sample used in the adiabatic calorimetric study was determined to be 0.99602 according to the van t Hoff equation. The thermodynamic functions, (HT - H298.15 K) and (ST - S298.15 K), were calculated. The standard molar energy and enthalpy of combustion have been determined, AcUm 0 (C10H11NO2,s) ) -(5297.97 ( 2.45) kJ * mol-1 and AcHm 0 (C10H11NO2, s) ) -(5301.07 ( 2.45) kJ * mol-1, by means of a precision oxygen-bomb combustion calorimeter at T ) 298.15 K. The standard molar enthalpy of formation has been derived, AfHm 0 (C10H11NO2, s) ) -(206.10 ( 3.97) kJ * mol-1.

Compounds

#	Formula	Name
1	CO2	carbon dioxide
2	N2	nitrogen
3	H2O	water
4	O2	oxygen
5	C10H11NO2	(3,4-dimethoxyphenyl)acetonitrile

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	Constraint	Phase	Method	#Points
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	ADIACA:UFactor:4	1
POMD	5	Triple point temperature, K ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	SMALLAD:UFactor:4	85
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	SMALLAD:UFactor:4	20
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	SMALLAD:UFactor:4	50
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	SMALLAD:UFactor:4	13
RXND	5 1 2 3 4	Molar internal energy of reaction at constant volume, kJ/mol				Static bomb calorimetry	1

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Heat Capacities and Thermodynamic Properties of (3,4-Dimethoxyphenyl) Acetonitrile (C10H11NO2)

Meng, Q.-F.[Qing-Fen], Zhang, J.-N.[Jing-Nan], Tan, Z.-C.[Zhi-Cheng], Dong, Y.-P.[Ya-Ping], Li, W.[Wu], Shi, Q.[Quan]

ABSTRACT