Name: ThermoML Representation of Published Experimental Data from Journal of Chemical and Engineering Data (0021-9568, American Chemical Society)
Creator: Thermodynamics Research Center
License: https://www.nist.gov/open/license

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

Solid-Liquid Phase Equilibrium and Ternary Phase Diagrams of Ibuprofen-Nicotinamide Cocrystals in Ethanol and Ethanol/Water Mixtures at (298.15 and 313.15) K

Sun, X.[Xiaowei], Yin, Q.[Qiuxiang], Ding, S.[Suping], Shen, Z.[Zhiming], Bao, Y.[Ying], Gong, J.[Junbo], Hou, B.[Baohong], Hao, H.[Hongxun], Wang, Y.[Yongli], Wang, J.[Jingkang], Xie, C.[Chuang]

J. Chem. Eng. Data 2015, 60, 4, 1166-1172

ABSTRACT

Compounds

#	Formula	Name
1	C13H18O2	ibuprofen
2	C6H6N2O	3-pyridinecarboxamide
3	C2H6O	ethanol
4	H2O	water

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 2 3	Mass fraction - 2 ; Liquid	Temperature, K; Liquid Mass fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	Phase equilibration	11
POMD	1 2 3	Mass fraction - 2 ; Liquid	Temperature, K; Liquid Mass fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Phase equilibration	4
POMD	2 3 4	Mass fraction - 2 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Solvent: Mass fraction - 4; Liquid	Liquid Crystal - 2	Phase equilibration	2
POMD	1 3 4	Mass fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Solvent: Mass fraction - 4; Liquid	Liquid Crystal - 1	Phase equilibration	2
POMD	2 3	Mass fraction - 2 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	Chromatography	2
POMD	1 3	Mass fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Chromatography	2