ChemInform Abstract: Thermodynamic Study of Organic Compounds in Octan-1-ol. Part 4. Free Energy and Enthalpy Changes for the Process of Transfer from Gas and from Dilute Aqueous Solutions of Some Alkanes and Monofunctional Saturated Organic Compounds

ChemInform ◽  
2010 ◽  
Vol 22 (42) ◽  
pp. no-no
Author(s):  
S. CABANI ◽  
G. CONTI ◽  
V. MOLLICA ◽  
L. BERNAZZANI
Keyword(s):  
Free Energy ◽  
Aqueous Solutions ◽  
Organic Compounds ◽  
Thermodynamic Study ◽  
Enthalpy Changes ◽  
Dilute Aqueous Solutions

Tautomeric equilibria and pKa values for 'sulfurous acid' in aqueous solution: a thermodynamic analysis

1979 ◽  
Vol 57 (4) ◽  
pp. 454-457 ◽  
Author(s):  
J. Peter Guthrie
Keyword(s):  
Aqueous Solution ◽  
Free Energy ◽  
Aqueous Solutions ◽  
Equilibrium Constants ◽  
Acid Solutions ◽  
Sulfurous Acid ◽  
Free Energy Of Formation ◽  
Dilute Aqueous Solutions ◽  
Sulfite Ion ◽  
Energy Of Formation

The free energy of formation of dimethyl sulfite in aqueous solution can be calculated as −91.45 ± 0.79 kcal/mol; this calculation required measurement of the solubility of dimethyl sulfite. From this value and the pKa of SO(OH)2, using previously reported methods, the free energy of formation of SO(OH)2 can be calculated to be −129.26 ± 0.89 kcal/mol. Comparison of this value with the value obtained from the free energy of formation of 'sulfurous acid' solutions, calculated from the free energy of formation of sulfite ion and the apparent pKa, values, permits evaluation of the free energy of covalent hydration of SO2 as 1.6 + 1.0 kcal/mol, in agreement with earlier qualitative spectroscopic observations. From the apparent pKa and the anticipated pKa values for the tautomers (SO(OH)2, pK1 = 2.3; HSO2(OH), pK1 = −2.6) it is possible to calculate the free energy change for tautomerization of SO(OH)2 to H—SO2(OH) as +4.5 ± 1.2 kcal/mol. All equilibrium constants required for Scheme 1, describing the species present in dilute aqueous solutions of SO2, have been calculated. In agreement with previous Raman studies the major tautomer of 'bisulfite ion' is calculated to be H—SO3−.

THE RADIOLYSIS OF SOME ORGANIC HALOGEN COMPOUNDS IN AQUEOUS SOLUTION

1960 ◽  
Vol 38 (1) ◽  
pp. 77-93 ◽  
Author(s):  
R. J. Woods ◽  
J. W. T. Spinks
Keyword(s):  
Aqueous Solution ◽  
Aqueous Solutions ◽  
Organic Compounds ◽  
Gamma Rays ◽  
Organic Halogen ◽  
Halogen Compounds ◽  
Dilute Aqueous Solutions ◽  
Saturated Solutions

Dilute aqueous solutions of some halogen-substituted ethanols, acetaldehydes, and acetates have been irradiated with Co60 gamma rays, and the yield of acid products determined. Irradiations were carried out using air-saturated solutions and also solutions from which the air had been displaced by nitrogen or hydrogen. The acid yields are correlated with the structure of the organic compounds.

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