Enthalpy of solvation correlations for organic solutes and gases dissolved in acetonitrile and acetone

Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations

“…This study continues our combined experimental and theoretical examination of gas-toorganic solvent transfer processes for nonelectrolyte solutes [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19]. Such processes govern chemical separations by gas-liquid chromatography, measurement of solubilities and activity coefficients by inert-gas stripping methods, and the removal and pre-concentration of volatile organic solutes from aqueous analytical samples using headspace single drop micro-extraction methods.…”

“…In previous publications [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15] we have developed Abraham model correlations:…”

“…The organic solvents included several saturated hydrocarbons [1,2] and aromatic hydrocarbons [1,3,4], chlorinated alkanes [4][5][6], several primary, secondary and tertiary alcohols [7][8][9][10][11], two dialkyl carbonates [12], one alkyl acetate solvent [13], one dialkyl ether [13] and two cyclic ethers [6,8], as well as several miscellaneous organic solvents [9,14,15]. In each case eqns.…”

Enthalpy of solvation correlations for organic solutes and gases dissolved in 1-propanol and tetrahydrofuran

“…distribution from blood to the various body organs [15][16][17][18][19][20], permeability of organic compounds through human skin from aqueous solution [21], brain permeation of neutral molecules and ionic species [22], and enthalpies of solvation of organic vapors and gases in both water [23] and in organic solvent media [23][24][25][26][27][28][29][30][31][32]. The molecular descriptors may be of either experimental origin or calculated based solely on molecular structure considerations.…”

“…Previously we have applied the Abraham solvation parameter model to correlate experimental enthalpies of solvation of organic vapors and gases in water, ΔH solv,w , [23]: and in four alkanes (hexane [27], heptane [29], hexadecane [29] and cyclohexane [29]), in two aromatic hydrocarbons (benzene [29] and toluene [31]), in three chloroalkanes (trichloromethane [30], tetrachloromethane [31] and 1,2-dichloroethane [30]), in five alcohols (methanol [26], ethanol [26], 1-butanol [26], 1-octanol [23] and tert-butanol [25]), and in seven other organic solvents (acetone [24], propylene carbonate [32], dimethyl sulfoxide [32], dibutyl ether [28], ethyl acetate [28], acetonitrile [24] and N,N-dimethylformamide [25]). In total Abraham model, Each term in Eqns.…”