Henry’s Law Constants for Fragrance and Organic Solvent Compounds in Aqueous Industrial Surfactants

Helburn, Robin; Albritton, John; Howe, G.B.; Michael, Larry; Franke, Deborah L.

doi:10.1021/je700418a

Cited by 14 publications

(12 citation statements)

References 45 publications

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“…From these results, it can be seen that an increase in temperature resulted in a larger measured vapor–liquid partition coefficient, which increased approximately threefold as temperature was increased from 15 to 40°C. Our

K_{vw}

results for limonene are in good agreement with existing literature values at 25°C (Copolovici & Niinemets, 2005; Welke et al, 1998) or 30°C (Helburn et al, 2008), the latter results obtained using an EPICS approach in which headspace concentration measurements in vials with two different aqueous volumes were compared. In addition, our group previously used both HS–SPME and direct immersion SPME (DI–SPME) extraction to determine

K_{vw}

for limonene at 25°C (Lloyd, Dungan, & Ebeler, 2011a); these values are also in very close agreement with the current findings.…”

Section: Resultssupporting

confidence: 92%

Partitioning, solubility and solubilization of limonene into water or short‐chain phosphatidylcholine solutions

Karman

Ebeler

Nitin

et al. 2021

J Americ Oil Chem Soc

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Using headspace solid‐phase microextraction (HS–SPME), equilibrium distributions could be determined for hydrophobic solutes in closed systems containing vapor and aqueous solution, either in the absence or presence of two short‐chain phospholipids, dihexanoyl‐phosphatidylcholine (diC6PC) and diheptanoyl‐phosphatidylcholine (diC7PC). Without phospholipid, HS–SPME with short extraction times was used to measure water–vapor partition coefficients Kvw for d‐limonene at five temperatures within 15–40°C, with results in good agreement with existing literature. The temperature dependence of Kvw yielded the enthalpy of volatilization ΔvoltrueH¯= 34.5 kJ/mol for limonene. At 25°C, solubility values for d‐limonene, 1‐octanol, and n‐decane were obtained using similar measurements above aqueous solutions of various solute concentrations. Short‐time HS–SPME extraction of limonene in closed vials containing diC6PC or diC7PC micelles was also used to evaluate distributions of solute between vapor, aqueous dissolution, and micelles, for various surfactant concentrations at 15–40°C. Resulting vapor phase concentrations were analyzed using a mass balance and measured Kvw values, to obtain micelle–water partition coefficients Kmw and critical micelle concentrations. Kmw in diC6PC solutions (1–2 mM−1) weakly increased with temperature, but decreased significantly with increased temperature for diC7PC micelles (2–4 mM−1). Solubilization in short‐chain PC micelles has previously received little attention, and our results show that the extent of partitioning into these diacyl (i.e., two‐tailed) lipids is comparable to that for single‐tailed anionic or nonionic surfactants.

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K_{vw}

K_{vw}

for limonene at 25°C (Lloyd, Dungan, & Ebeler, 2011a); these values are also in very close agreement with the current findings.…”

Section: Resultssupporting

confidence: 92%

Partitioning, solubility and solubilization of limonene into water or short‐chain phosphatidylcholine solutions

Karman

Ebeler

Nitin

et al. 2021

J Americ Oil Chem Soc

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“…10 Second, if the concentration of the headspace is determined by a direct measurement combined with a calibration measurement, the liquid phase concentration and K vl can be calculated via mass balance. 7,[11][12][13] Such an approach can be applied as well to the liquid phase, but this has not been demonstrated. A third strategy is to sample one phase, then deplete that phase entirely of the analyte, allow re-equilibration, and finally sample again.…”

Section: Introductionmentioning

confidence: 99%

Measuring gas-liquid partition coefficients of aroma compounds by solid phase microextraction, sampling either headspace or liquid

Lloyd

Dungan

Ebeler

2011

Analyst

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Hydrophobic compounds are important odorants and nutrients in foods and beverages, as well as environmental contaminants and pharmaceuticals. Factors influencing their partitioning within multi-component systems and/or from the bulk liquid phase to the air are critical for understanding aroma quality and nutrient bioavailability. The equilibrium partitioning of hydrophobic analytes between air and water was analyzed using solid phase microextraction (SPME) in the headspace (HS-SPME) and via direct immersion in the liquid (DI-SPME). The compounds studied serve as models for hydrophobic aroma compounds covering a range of air-water partition coefficients that extends over four orders of magnitude. By varying the total amount of analyte as well as the ratio of vapor to liquid in the closed, static system, the partition coefficient, K(vl), can be determined without the need for an external calibration, eliminating many potential systematic errors. K(vl) determination using DI-SPME in this manner has not been demonstrated before. There was good agreement between results determined by DI-SPME and by HS-SPME over the wide range of partitioning behavior studied. This shows that these two methods are capable of providing accurate, complementary measurements. Precision in K(vl) determination depends strongly on K(vl) magnitude and the ratio of the air and liquid phases.

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“…Static headspace data from Helburn et al for limonene in SDBS micelles. Curve is fit of eq 7 to find K normalm scriptl and cmc .…”

Section: Resultsmentioning

confidence: 99%

“…We have performed such experiments for several hydrophobic compounds . The value for limonene of K normalv scriptl = 1.6 used in this work was taken from Helburn and co-workers …”

Section: Analysis Of Partitioningmentioning

confidence: 99%

Measuring Local Equilibrium Flavor Distributions in SDS Solution Using Headspace Solid-Phase Microextraction

et al. 2011

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Solid-phase microextraction (SPME) sampling of the headspace above an aqueous micellar solution of sodium dodecyl sulfate (SDS) was shown to be effective for quantifying the equilibrium partitioning of limonene solute between water and SDS micellar aggregates. Concentrations in the headspace were determined from the amount absorbed by the SPME fiber during 1 min extractions, with the quantity on the fiber determined using gas chromatography/mass spectrometry (GC/MS). Headspace concentrations as a function of surfactant concentration were fit to a mass balance to yield the partition coefficient and critical micelle concentration. When the total limonene in the system was low enough that it could be completely dissolved by water in the absence of micelles, a constant value for the partition coefficient of 1700 M(-1) was obtained, independent of the limonene concentration. However, at higher total limonene concentrations, the partition coefficient became a function of the amount of limonene in the micelles, as confirmed by separate experiments in which either limonene or SDS concentration was varied. The observed increase in partition coefficient with increasing limonene likely signals a shift from micelles to swollen micelles and ultimately to microemulsion droplets. The effect of SDS concentration on the aqueous solubility limit of limonene could also be observed in HS-SPME experiments where either SDS or limonene was varied.

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Henry’s Law Constants for Fragrance and Organic Solvent Compounds in Aqueous Industrial Surfactants

Cited by 14 publications

References 45 publications

Partitioning, solubility and solubilization of limonene into water or short‐chain phosphatidylcholine solutions

Partitioning, solubility and solubilization of limonene into water or short‐chain phosphatidylcholine solutions

Measuring gas-liquid partition coefficients of aroma compounds by solid phase microextraction, sampling either headspace or liquid

Measuring Local Equilibrium Flavor Distributions in SDS Solution Using Headspace Solid-Phase Microextraction

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