ABSTRACT

A systematic thermo-physical characterization of the two compounds 2-((4-acetyl-5-(4-methoxyphenyl)- 5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)methylthio)-3-o-tolylquinazolin-4(3H)-one (PDI-A) and 2-((4-acetyl-5-methyl-5-p-tolyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)methylthio)-3-o-tolylquinazolin- 4(3H)-one (PDI-G) in two different solvents viz. chloroform (CF) and N,N-dimethylformamide (DMF) were elucidated. Thus, density (q), viscosity (g) and ultrasonic sound velocity (U) and thereby various acoustical and thermodynamic parameters have been determined over the range of T = (303, 308, and 313) K and at atmospheric pressure. Moreover, a comparison between experimental results for the pure solvents and solutions of compound PDI-A and compound PDI-G studied has been carried out to analyze carefully how the structural modifications affect the values of Gibbs energy of activation (DG), enthalpy of activation (DH) and entropy of activation (DS) in CF and DMF.

Compounds

#	Formula	Name
1	C28H26N4O3S	2-((4-acetyl-5-methyl-5-p-tolyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)methylthio)-3-o-tolylquinazolin-4(3H)-one
2	C28H26N4O4S	2-((4-acetyl-5-(4-methoxyphenyl)-5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)methylthio)-3-o-tolylquinazolin-4(3H)-one
3	CHCl3	trichloromethane
4	C3H7NO	dimethylformamide

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	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Pycnometric method	3
POMD	3	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	3
POMD	3	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Linear variable-path acoustic interferometer	3
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Pycnometric method	3
POMD	4	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	3
POMD	4	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Linear variable-path acoustic interferometer	3
POMD	3 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Pycnometric method	21
POMD	3 1	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	21
POMD	3 1	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Linear variable-path acoustic interferometer	21
POMD	4 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Pycnometric method	21
POMD	4 1	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	21
POMD	4 1	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Linear variable-path acoustic interferometer	21
POMD	3 2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Pycnometric method	21
POMD	3 2	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	21
POMD	3 2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Linear variable-path acoustic interferometer	21
POMD	4 2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Pycnometric method	21
POMD	4 2	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	21
POMD	4 2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Linear variable-path acoustic interferometer	21

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermo-physical properties of 1,3,4-oxadiazole derivatives in pure solvents

Godhani, D. R.[Dinesh Ramjibhai], Dobariya, P. B.[Purvesh B], Sanghani, A. M.[ANIL M], Mehta, J. P.[Jignasu P.]

ABSTRACT