ABSTRACT

An analysis of the experimental and theoretical non-intrinsic contribution to the limiting partial molar volume, hhi, of thiophene- and furan-2-carboxaldehyde phenylhydrazone, 4-nitrophenylhydrazone and 2,4-dinitrophenylhydrazone derivatives henceforth referred as PHT, NHT, DHT, PHF, NHF and DHF, respectively in dimethylsulfoxide is presented. A refractometric method to determine hhi was proposed, which was able to successfully reproduce the method based on high-precision densitometry measurements at T = 293.15 K. No general trend of hhi with the molecular size was observed. The theoretical values were calculated within the Scaled Particle Theory framework using both the Kharakoz equation and the Lee Graziano model with a volumetric contribution from attractive interactions. The values of hhi of the more rigid systems, were better represented by the Lee Graziano model. The attractive term was examined considering the (solute + solvent) separation distance suggesting a possible contribution of specific interactions.

Compounds

#	Formula	Name
1	C2H6OS	dimethyl sulfoxide
2	C6H6	benzene
3	C11H10N2O	furan-2-carboxaldehyde-phenylhydrazone
4	C11H9N3O3	1-(furan-2-ylmethylene)-2-(4-nitrophenyl)hydrazine
5	C11H8N4O5	1-(2,4-dinitrophenyl)-2-(furan-2-ylmethylene)hydrazine
6	C11H10N2S	2-thiophenecarboxaldehyde phenylhydrazone
7	C11H9N3O2S	1-(4-nitrophenyl)-2-(thiophen-2-ylmethylene)hydrazine
8	C11H8N4O4S	1-(2,4-dinitrophenyl)-2-(thiophen-2-ylmethylene)hydrazine

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	1	Refractive index (other wavelength) ; Liquid	Wavelength, nm; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	2
POMD	1	Mass density, kg/m3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Vibrating tube method	1
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	2	Refractive index (other wavelength) ; Liquid	Wavelength, nm; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	2
POMD	1 3	Mass density, kg/m3 ; Liquid	Mass fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	6
POMD	1 3	Refractive index (other wavelength) ; Liquid	Mass fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid Wavelength, nm; Liquid	Liquid	Standard Abbe refractometry	6
POMD	1 4	Mass density, kg/m3 ; Liquid	Mass fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	6
POMD	1 4	Refractive index (other wavelength) ; Liquid	Mass fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid Wavelength, nm; Liquid	Liquid	Standard Abbe refractometry	6
POMD	1 5	Mass density, kg/m3 ; Liquid	Mass fraction - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	6
POMD	1 5	Refractive index (other wavelength) ; Liquid	Mass fraction - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid Wavelength, nm; Liquid	Liquid	Standard Abbe refractometry	6
POMD	1 6	Mass density, kg/m3 ; Liquid	Mass fraction - 6; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	6
POMD	1 6	Refractive index (other wavelength) ; Liquid	Mass fraction - 6; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid Wavelength, nm; Liquid	Liquid	Standard Abbe refractometry	6
POMD	1 7	Mass density, kg/m3 ; Liquid	Mass fraction - 7; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	6
POMD	1 7	Refractive index (other wavelength) ; Liquid	Mass fraction - 7; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid Wavelength, nm; Liquid	Liquid	Standard Abbe refractometry	6
POMD	1 8	Mass density, kg/m3 ; Liquid	Mass fraction - 8; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	6
POMD	1 8	Refractive index (other wavelength) ; Liquid	Mass fraction - 8; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid Wavelength, nm; Liquid	Liquid	Standard Abbe refractometry	6

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Volume-related properties of thiophene and furan-2-carboxaldehyde phenylhydrazone derivatives in DMSO: A discussion about non-intrinsic contribution

Alvarado, Y. J.[Ysaias J.], Ballestas-Barrientos, A.[Alfonso], Restrepo, J.[Jelem], Vera-Villalobos, J.[Joan], Ferrer-Amado, G.[Gladys], Rodriguez-Lugo, P.[Patricia], Ferrebuz, A.[Atilio], Infante, M.[Miguel], Cubillan, N.[Nestor]

ABSTRACT