Excess molar enthalpies of 2-methoxy ethanol+water and 2-ethoxy ethanol+water at 25°C

Davis, Michaël I.; Molina, Marcos; Douhéret, Gérard

doi:10.1016/s0040-6031(98)00374-8

Cited by 10 publications

(5 citation statements)

References 15 publications

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“…As expected, K dissoc increases (i.e., ROH−W association decreases) as a function of increasing temperature; the van't Hoff equation applies satisfactorily to all alcohols. Figure SI-2 of the SI, that is, the corresponding Δ C p is essentially temperature independent in the T -range studied, in agreement with published data. − …”

Section: Resultssupporting

confidence: 89%

“…Figure SI-2 of the SI, that is, the corresponding ∆C p is essentially temperature independent in the T-range studied, in agreement with published data. [47][48][49] The effectiVe mole fractions of water (χ W Bk;Effective ), alcohol (χ ROH Bk;Effective ), and the 1:1 water-alcohol complex (χ ROH-W Bk;Effective ) were calculated from eqs 5, 6, and 7, as reported elsewhere; 3 the results are graphically represented in Figure 6. Interestingly, this figure shows that the maximum χ ROH-W is more sensitive to the volume of ROH than to its pK a .…”

Section: F )mentioning

confidence: 99%

See 1 more Smart Citation

Thermosolvatochromism of Betaine Dyes Revisited: Theoretical Calculations of the Concentrations of Alcohol−Water Hydrogen-bonded Species and Application to Solvation in Aqueous Alcohols

2006

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Solvatochromic data of 2,6-diphenyl-4-(2,4,6-triphenylpyridinium-1-yl)phenolate (RB) in aqueous methanol, 1-propanol, 2-propanol, and 2-methyl-2-propanol at 25 degrees C were recalculated by employing a recently introduced model that explicitly considers the presence of 1:1 alcohol-water hydrogen-bonded species, ROH-W, in bulk solution and their exchange equilibria with water and alcohol in the probe solvation microsphere. The thermosolvatochromic behavior of RB in aqueous ethanol was measured in the temperature range from 10 to 60 degrees C; the results thus obtained were treated according to the same model. All calculations require reliable values of Kdissoc, the dissociation constant of the ROH-W species. This was previously calculated from the dependence of the density of the binary solvent mixture on its composition. Through the use of iteration, the volume of the hydrogen-bonded species, VROH-W, and Kdissoc are obtained simultaneously from the same set of experimental data. This approach may be potentially problematic because Kdissoc and VROH-W are highly correlated. Therefore, we introduced the following approach: (i) VROH-W was obtained from ab initio calculations, (ii) these volumes were corrected for the nonideal behavior of the binary solvent mixtures at different temperatures, (iii) corrected VROH-W values were employed as a constant in the equation used to calculate Kdissoc (from density vs binary solvent mixture composition). VROH-W calculated by the COSMO-RS solvation model fitted the density data better than those calculated by the IEFPCM model. In all aqueous alcohols, solvation by ROH-W is favored over that by the two precursor solvents. In aqueous ethanol, a temperature increase resulted in a gradual desolvation of RB, due to a decrease in the hydrogen-bonding of both components of the mixture. The microscopic polarities of ROH-W are much closer to those of the precursor alcohols.

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Section: Resultssupporting

confidence: 89%

Section: F )mentioning

confidence: 99%

Thermosolvatochromism of Betaine Dyes Revisited: Theoretical Calculations of the Concentrations of Alcohol−Water Hydrogen-bonded Species and Application to Solvation in Aqueous Alcohols

2006

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“…of cellosolve. The excess molar enthalpies of aqueous solution of 2-ethoxyethanol were measured by Tamura et al [1] and Davis et al [2]. Other systems of 2-ethoxyethanol include binaries with various carboxylates [3,4], with di-n-butylether [5], and with 1,4-dioxane or 1,2-dimethoxyethane or various hydrocarbons [6,7].…”

Section: Introductionmentioning

confidence: 99%

Excess enthalpies of binary mixtures of 2-ethoxyethanol with four hydrocarbons at 298.15, 308.15, and 318.15K

Missopolinou

Tsivintzelis

Panayiotou

2006

Fluid Phase Equilibria

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“…For example, the binary mixtures constituted by monoalcohols and amines with large and negative Δ H mix 26 27 28 generally show large and positive T g shifts 29 . Likewise, large and negative Δ H mix is also detected in the mixtures composed of water and alkoxy alcohols, such as the aqueous systems of 2-methoxyethanol 30 and 2-ethoxyethanol 31 , and large and positive T g deviations are observed in such mixtures 10 .…”

Section: Discussionmentioning

confidence: 95%

Unveiling the Dependence of Glass Transitions on Mixing Thermodynamics in Miscible Systems

Yun-xi

et al. 2015

Sci Rep

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The dependence of the glass transition in mixtures on mixing thermodynamics is examined by focusing on enthalpy of mixing, ΔHmix with the change in sign (positive vs. negative) and magnitude (small vs. large). The effects of positive and negative ΔHmix are demonstrated based on two isomeric systems of o- vs. m- methoxymethylbenzene (MMB) and o- vs. m- dibromobenzene (DBB) with comparably small absolute ΔHmix. Two opposite composition dependences of the glass transition temperature, Tg, are observed with the MMB mixtures showing a distinct negative deviation from the ideal mixing rule and the DBB mixtures having a marginally positive deviation. The system of 1, 2- propanediamine (12PDA) vs. propylene glycol (PG) with large and negative ΔHmix is compared with the systems of small ΔHmix, and a considerably positive Tg shift is seen. Models involving the properties of pure components such as Tg, glass transition heat capacity increment, ΔCp, and density, ρ, do not interpret the observed Tg shifts in the systems. In contrast, a linear correlation is revealed between ΔHmix and maximum Tg shifts.

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Excess molar enthalpies of 2-methoxy ethanol+water and 2-ethoxy ethanol+water at 25°C

Cited by 10 publications

References 15 publications

Thermosolvatochromism of Betaine Dyes Revisited: Theoretical Calculations of the Concentrations of Alcohol−Water Hydrogen-bonded Species and Application to Solvation in Aqueous Alcohols

Thermosolvatochromism of Betaine Dyes Revisited: Theoretical Calculations of the Concentrations of Alcohol−Water Hydrogen-bonded Species and Application to Solvation in Aqueous Alcohols

Excess enthalpies of binary mixtures of 2-ethoxyethanol with four hydrocarbons at 298.15, 308.15, and 318.15K

Unveiling the Dependence of Glass Transitions on Mixing Thermodynamics in Miscible Systems

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