ABSTRACT

Partial molar volumes and isentropic compressibilities of the macrocyclic calixarene C-butylresorcin[4]arene have been determined as functions of solute concentration and temperature in five non-aqueous solvents of widely differing character: ethanol, 1-propanol, acetonitrile, N,N-dimethylformamide and dimethylsulfoxide. Both thermodynamic parameters indicated the presence of solute aggregation in all of the studied solvents. Detailed analysis of the data implied that the aggregates formed contained significant amounts of solvent, suggesting that the solutions were nano-heterogeneous rather than conventional micellar. Differences among the solvents were consistent with their hydrogen-bond donor and acceptor properties.

Compounds

#	Formula	Name
1	C44H56O8	C-butylresorcin[4]arene
2	C2H6O	ethanol
3	C3H8O	propan-1-ol
4	C3H7NO	dimethylformamide
5	C2H6OS	dimethyl sulfoxide
6	C2H3N	acetonitrile

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	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	7
POMD	2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	7
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	7
POMD	3	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	7
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	7
POMD	4	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	7
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	4
POMD	5	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	4
POMD	6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	7
POMD	6	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	7
POMD	1 2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	119
POMD	1 2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	119
POMD	1 3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	119
POMD	1 3	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	119
POMD	1 6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	119
POMD	1 6	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	119
POMD	1 4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	126
POMD	1 4	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	126
POMD	1 5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	68
POMD	1 5	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Single path-length method	68

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic evidence for nano-heterogeneity in solutions of the macrocycle C-butylresorcin[4]arene in non-aqueous solvents

Riveros, Diana C., Hefter, Glenn, Vargas, Edgar F.

ABSTRACT