Thermodynamics Research Center / ThermoML | Thermochimica Acta

Enthalpies of solution and enthalpies of solvation of organic solutes in ethylene glycol at 298.15 K: Prediction and analysis of intermolecular interaction contributions

Stolov, M. A.[Mikhail A.], Zaitseva, K. V.[Ksenia V.], Varfolomeev, M. A.[Mikhail A.], Acree, Jr., W. E.[William E.]
Thermochim. Acta 2017, 648, 91-99
ABSTRACT
Ethylene glycol is one of the most usually used liquid media for realization of different industrial processes. In present work thermochemistry of solvation of inert gases and organic solutes in ethylene glycol was thoroughly studied using solution calorimetry technique. Enthalpies of solution of 28 organic solutes in ethylene glycol were measured for the first time. Acree and Abraham multi-parameter correlations were successfully applied for description of enthalpies of solvation of number of inert gases and organic compounds in ethylene glycol calculated on the basis of experimental and literature data. Enthalpies of solute-ethylene glycol hydrogen bonding for some ketones, esters, ethers, nitriles, monoatomic aliphatic alcohols, amines and etc. were determined. Linear correlation between enthalpies of solute-ethylene glycol and solute-methanol hydrogen bonding was observed.
Compounds
# Formula Name
1 C2H6O2 1,2-ethanediol
2 C3H6O acetone
3 C4H8O butanone
4 C5H10O pentan-2-one
5 C7H14O 2-heptanone
6 C3H6O2 methyl ethanoate
7 C4H8O2 ethyl acetate
8 C5H10O2 propyl ethanoate
9 C6H12O2 butyl ethanoate
10 C4H8O tetrahydrofuran
11 C4H8O2 1,4-dioxane
12 C4H10O diethyl ether
13 C2H3N acetonitrile
14 C3H5N propanenitrile
15 C4H7N butanenitrile
16 C5H5N pyridine
17 C6H7N 2-methylpyridine
18 C6H7N 3-methylpyridine
19 C6H7N 4-methylpyridine
20 C4H11N 1-butanamine
21 C4H11N 2-butanamine
22 C4H11N 2-methyl-2-propanamine
23 C6H15N 1-hexanamine
24 C5H11N piperidine
25 C4H11N diethylamine
26 C6H15N dipropylamine
27 C8H19N dibutylamine
28 C6H15N triethylamine
29 C8H8O acetophenone
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
  • 1
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 3
  • 1
  • 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
  • 6
  • 1
  • 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
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 8
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 9
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 9; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 10
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 10; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 11
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 11; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 12
  • 1
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 12; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 13
  • 1
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 13; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 14
  • 1
  • 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
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 17
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 17; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 18
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 18; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 19
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 19; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 20
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 20; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration 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
  • 22
  • 1
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 22; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 23
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 23; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 24
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 24; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 25
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 25; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 26
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 26; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 27
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 27; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 1
  • 28
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 28; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1
  • POMD
  • 29
  • 1
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 29; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Titration calorimetry
  • 1