ABSTRACT

The transpiration method was used to measure the vapor pressures as a function of temperature of the following antimicrobial drugs: ciprofloxacin, enrofloxacin, norfloxacin and levofloxacin. Based on these results standard molar enthalpies, entropies and Gibbs energies of sublimation at T = 298.15 K were calculated and a correlation between the crystal lattice energy and the saturation vapor pressure in a number of fluoroquinolones was found. The thermophysical characteristics of the compounds studied were determined by DSC. The influence of different structural fragments of molecules substituents and the effects of hydrogen bonds in crystal lattices on the sublimation enthalpy was discussed.

Compounds

#	Formula	Name
1	C17H18FN3O3	ciprofloxacin
2	C19H22FN3O3	Enrofloxacin
3	C16H18FN3O3	norfloxacin
4	C18H20FN3O4	levofloxacin
5	C7H6O2	benzoic acid

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	1	Normal melting temperature, K ; Crystal		Crystal Liquid Air at 1 atmosphere	DTA:corrimp	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	1	Vapor or sublimation pressure, kPa ; Crystal	Temperature, K; Crystal	Crystal Gas	Transpiration method	13
POMD	2	Normal melting temperature, K ; Crystal		Crystal Liquid Air at 1 atmosphere	DTA:corrimp	1
POMD	2	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	2	Vapor or sublimation pressure, kPa ; Crystal	Temperature, K; Crystal	Crystal Gas	Transpiration method	12
POMD	3	Normal melting temperature, K ; Crystal		Crystal Liquid Air at 1 atmosphere	DTA:corrimp	1
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	3	Triple point temperature, K ; Crystal 2		Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	3	Vapor or sublimation pressure, kPa ; Crystal	Temperature, K; Crystal	Crystal Gas	Transpiration method	13
POMD	4	Normal melting temperature, K ; Crystal		Crystal Liquid Air at 1 atmosphere	DTA:corrimp	1
POMD	4	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	4	Normal melting temperature, K ; Metastable crystal		Metastable crystal Liquid Air at 1 atmosphere	DTA:corrimp	1
POMD	4	Normal melting temperature, K ; Metastable crystal		Metastable crystal Liquid Air at 1 atmosphere	DTA:corrimp	1
POMD	4	Vapor or sublimation pressure, kPa ; Crystal	Temperature, K; Crystal	Crystal Gas	Transpiration method	12
POMD	5	Vapor or sublimation pressure, kPa ; Crystal	Temperature, K; Crystal	Crystal Gas	Transpiration method	4

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Sublimation thermodynamics of four fluoroquinolone antimicrobial compounds

Blokhina, S.[Svetlana], Sharapova, A.[Angelica], Ol'khovich, M.[Marina], Perlovich, G.[German]

ABSTRACT