ABSTRACT

In present work a thermochemistry of hydrogen bond formation of proton acceptors (B) in the medium of linear (N-methylformamide (NMF)) and cyclic (2-pyrrolidone (Py)) amides was studied. The infinite dilution solution enthalpies of nitriles, ketones, esters, ethers and amines in amides were measured at 298.15 K. Enthalpies of hydrogen bonding of proton acceptors in solution linear and cyclic amides were calculated and compared with previously determined the enthalpies of hydrogen bonding of amides in proton acceptor media. The cooperative effects of hydrogen bonding in multi-particle complexes of amides with proton acceptors were evaluated. It was shown that cooperativity coefficients were decreased with increasing the basicity of proton acceptors.

Compounds

#	Formula	Name
1	C2H3N	acetonitrile
2	C3H6O	acetone
3	C4H8O2	1,4-dioxane
4	C4H9NO	N,N-dimethylethanamide
5	C3H7NO	dimethylformamide
6	C4H8O2	ethyl acetate
7	C2H5NO	N-methylformamide
8	C6H7N	3-methylpyridine
9	C3H5N	propanenitrile
10	C5H5N	pyridine
11	C4H7NO	2-pyrrolidinone
12	C4H8O	tetrahydrofuran
13	C6H14	hexane
14	C7H16	heptane
15	C8H18	octane

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	2 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 2; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	1 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 1; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	4 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 4; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	5 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 5; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	3 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 3; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	3 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	6 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	8 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	9 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	10 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 10; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	12 7	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 12; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	2 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 2; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	1 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 1; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	4 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 4; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	5 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 5; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	3 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 3; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	6 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	8 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	9 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	10 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 10; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	12 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 12; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	13 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 13; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	14 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 14; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1
POMD	15 11	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 15; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Titration calorimetry	1

Thermodynamics Research Center / ThermoML | Thermochimica Acta

Thermochemistry of hydrogen bonding of proton acceptors in the media of linear and cyclic amides. Cooperativity effects in multi-particle complexes of amides

Rakipov, Ilnaz T., Petrov, Artem A., Akhmadiyarov, Aydar A., Khachatrian, Artashes A., Varfolomeev, Mikhail A., Solomonov, Boris N.

ABSTRACT