ABSTRACT

In present work thermochemistry of solvation of inert gases and organic solutes in pyridine was thoroughly studied using solution calorimetry technique. Enthalpies of solution at infinite dilution of 21 organic solutes were determined experimentally at 298.15 K. Measured and literature data were analyzed using Acree and Abraham multi-parameter correlations for description of enthalpies of solvation. Both hydrogen bonding enthalpies between solute and pyridine in bulk pyridine and Gibbs energies of 1:1 complexation between solute and pyridine were calculated using solute and solvent descriptors. Obtained results are in good agreement with values calculated by previously proposed methods.

Compounds

#	Formula	Name
1	C5H5N	pyridine
2	C3H8O	propan-1-ol
3	C8H18O	octan-1-ol
4	C2H6O2	1,2-ethanediol
5	C7H8O2	2-methoxyphenol
6	C7H8O2	3-methoxyphenol
7	C7H8O2	4-methoxyphenol
8	C6H5NO3	2-nitrophenol
9	C6H5NO3	3-nitrophenol
10	C6H5NO3	4-nitrophenol
11	C6H5ClO	4-chlorophenol
12	C8H8O2	1-(2-hydroxyphenyl)ethanone
13	C8H8O2	4'-hydroxyacetophenone
14	C8H8O3	methyl 2-hydroxybenzoate
15	C9H10O3	ethyl 2-hydroxybenzoate
16	C8H8O3	methyl 4-hydroxybenzoate
17	C9H10O3	ethyl 4-hydroxybenzoate
18	C10H12O3	propyl 4-hydroxybenzoate
19	C6H6O2	1,3-benzenediol
20	C6H6O2	1,4-benzenediol
21	C5H11N	piperidine
22	C3H4N2	1H-pyrazole

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 2	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 2; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	1 3	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 3; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	1 4	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 4; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	1 5	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 5; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	1 6	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	1 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Power-compensation calorimetry	1
POMD	1 8	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Power-compensation calorimetry	1
POMD	1 9	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Power-compensation calorimetry	1
POMD	1 10	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 10; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Power-compensation calorimetry	1
POMD	1 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 11; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Power-compensation calorimetry	1
POMD	1 12	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 12; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	1 13	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 13; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Power-compensation calorimetry	1
POMD	1 14	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 14; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	1 15	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 15; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	1 16	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 16; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Power-compensation calorimetry	1
POMD	1 17	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 17; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Power-compensation calorimetry	1
POMD	1 18	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 18; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Power-compensation calorimetry	1
POMD	1 19	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 19; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Power-compensation calorimetry	1
POMD	1 20	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 20; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Power-compensation calorimetry	1
POMD	1 21	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 21; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	1 22	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 22; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Power-compensation calorimetry	1

Thermodynamics Research Center / ThermoML | Thermochimica Acta

Analysis of solute-pyridine intermolecular interactions based on experimental enthalpies of solution and enthalpies of solvation of solutes dissolved in pyridine

Varfolomeev, Mikhail A., Stolov, Mikhail A., Nagrimanov, Ruslan N., Rakipov, Ilnaz T., Acree Jr., William E., Abraham, Michael H.

ABSTRACT