ABSTRACT

Enthalpies of solution of five C-alkylresorcin[4]arenes (alkyl = ethyl, n-butyl, n-pentyl or n-hexyl) in methanol, ethanol and propanol as a function of molal concentration were measured by semiadiabatic calorimetry at T = 298.15 K. The enthalpies at infinite dilution and the enthalpies of transfer from propanol were calculated. The enthalpies of solvation were estimated and their values are negative. The (solute + solvent) interactions between C-ethylresorcin[4]arene, C-butylresorcin[4]arene, and C-pentylresorcin [4]arene and alcohols are principally determined by van der Waals interactions, whereas hydrogen bonds are the predominate factor in alcoholic solutions of C-methylresorcin[4]arene and C-hexylresorcin[4] arene.

Compounds

#	Formula	Name
1	C36H40O8	rac-(2s,8s,14s,20s)-2,8,14,20-tetraethylpentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
2	C44H56O8	rac-(2s,8s,14s,20s)-2,8,14,20-tetrabutylpentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
3	C48H64O8	rac-(2s,8s,14s,20s)-2,8,14,20-tetrapentylpentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
4	C52H72O8	rac-(2s,8s,14s,20s)-2,8,14,20-tetrahexylpentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
5	CH4O	methanol
6	C2H6O	ethanol
7	C3H8O	propan-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	5 1	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	7
POMD	5 2	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	8
POMD	5 3	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	8
POMD	5 4	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	8
POMD	6 1	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	8
POMD	6 2	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	7
POMD	6 3	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	8
POMD	6 4	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	8
POMD	7 1	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	8
POMD	7 2	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	8
POMD	7 3	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	8
POMD	7 4	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	ISOPERIBOL	8

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Enthalpies of solution of C-alkylresorcin[4]arenes in alcohols at T = 298.15 K

Riveros, D. C.[Diana C.], Vargas, E. F.[Edgar F.]

ABSTRACT