ABSTRACT

The density and sound velocity for pure alcohols (methanol, ethanol, iso-propanol and n-butanol) and molal solutions of nitroimidazoles (metronidazole (MNZ) and dimetridazole (DMZ) have been measured at different temperatures (293.15-313.15 K). Different volumetric and acoustical parameters like apparent molar volume (V/), partial molar volume (V /), apparent molar isentropic compressibility (K/), partial molar isentropic compressibility (K /), hydration number (nH), acoustic impedance (Z) and intermolecular free length (Lf) of antibiotic solutions were calculated from the experimental values of density and sound velocity. The derived values have been used to explore the solute solute and solute solvent interactions. The V/ values are positive and K/ values are negative in both antibiotics, indicative of strong solute solvent interactions and closely packed structure of antibiotics in alcohols. The decreasing trend of Lf with increasing antibiotic concentration shows the presence of strong intermolecular interactions in solutions.

Compounds

#	Formula	Name
1	C6H9N3O3	2-methyl-5-nitro-1H-imidazole-1-ethanol
2	C5H7N3O2	1,2-dimethyl-5-nitroimidazole
3	CH4O	methanol
4	C2H6O	ethanol
5	C3H8O	propan-2-ol
6	C4H10O	butan-1-ol

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	Vibrating tube method	5
POMD	3	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	5
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	5
POMD	4	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	5
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	5
POMD	5	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	5
POMD	6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	5
POMD	6	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	5
POMD	3 2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	30
POMD	3 2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	30
POMD	3 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	30
POMD	3 1	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	30
POMD	4 2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	30
POMD	4 2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	30
POMD	4 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	30
POMD	4 1	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	30
POMD	5 2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	30
POMD	5 2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	30
POMD	5 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	30
POMD	5 1	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	30
POMD	6 2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	30
POMD	6 2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	30
POMD	6 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	30
POMD	6 1	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	30

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Investigation on molecular interactions of antibiotics in alcohols using volumetric and acoustic studies at different temperatures

Naseem, B.[Bushra], Iftikhar, M.[Madeeha]

ABSTRACT