Henry's law coefficients for aqueous solutions of acetone, acetaldehyde and acetonitrile, and equilibrium constants for the addition compounds of acetone and acetaldehyde with bisulfite

Benkelberg, Heinz-Jürgen; Hamm, Stephan; Warneck, Peter

doi:10.1007/bf01099916

Cited by 73 publications

(49 citation statements)

References 24 publications

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“…In Fig. 5, the temperature dependence of the HLC of acetaldehyde, measured using the standard experimental parameters, is compared to available data from the literature for the temperature range of 4 • C to 85 • C [9,30,[36][37][38][39][40]. All data measured in this study were within the range of previously published data.…”

Section: Experimental Parametersupporting

confidence: 53%

“…Once the optimum conditions were found for the standard temperature of 50 • C, these were checked for the four other temperatures: 4 • C, 25 • C, 65 • C and 85 • C and adapted if necessary. All trials were performed with acetaldehyde, a medium volatility compound for which ample data is available in the literature [9,30,[36][37][38][39][40].…”

Section: Experimental Parametermentioning

confidence: 99%

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Temperature dependence of Henry's law constants: An automated, high-throughput gas stripping cell design coupled to PTR-ToF-MS

Wieland

Neff

Gloess

et al. 2015

International Journal of Mass Spectrometry

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a b s t r a c tLiquid-air partition coefficients (Henry's law constants, HLCs) of eight flavour compounds (volatile organic compounds, VOCs) were determined in water, over a temperature range of 4 • C to 85 • C. The HLCs were derived by using nitrogen to strip a dilute solution of a VOC and then determining the decrease in concentration of the VOC in real-time in the stripped gas using proton-transfer-reaction time-of-flight mass-spectrometry (PTR-ToF-MS). This approach provided HLCs of improved accuracy (small 95% standard deviation) over a large temperature range, especially for low volatility VOCs (HLC > 2 mol/(m 3 Pa)). The outstanding features of this approach are: (i) it is applicable for VOCs over a large range of volatility; (ii) it can be used over a wide temperature range (4 • C to 85 • C); (iii) it is automated (high-throughput); (iv) it does not require calibration or knowledge of the initial concentration of the analyte; and (v) the experimental temperature can be controlled very precisely ( T better than ±0.1 • C). The eight flavour compounds analysed in water were: (E)-␤-damascenone, 2,3-butanedione, 2-ethyl-3,5-dimethylpyrazine, 2-methylfuran, 3-methylbutanal, acetaldehyde, ethyl-3-methyl butanoate and guaiacol. Based on the measured HLCs at five fixed temperatures (4 • C, 25 • C, 45 • C, 65 • C and 85 • C), accurate non-linear analytical expressions for the temperature dependence of HLCs were derived, which were then used to calculate thermodynamic constants.

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Section: Experimental Parametersupporting

confidence: 53%

Section: Experimental Parametermentioning

confidence: 99%

Temperature dependence of Henry's law constants: An automated, high-throughput gas stripping cell design coupled to PTR-ToF-MS

Wieland

Neff

Gloess

et al. 2015

International Journal of Mass Spectrometry

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“…The literature values, on the other hand, are typically derived for very low vapor-phase concentrations of the solute ,~1-100 ppm); at these concentrations, 90 to _> 99.9% of the partial pressure of acetic acid is due to the monomer. Nonetheless, to put these deviations in perspective, experimental values (as reported by different investigators) for formic acid, acetic acid, 2-methyl propanoic acid and formaldehyde differ among themselves by approximately a factor of 2 to 5, as shown in Table V (also see Betterton Betterton and Hoffmann (1988), Zhou andMopper (1990) andBenkelberg et al (1995).…”

Section: Methods 2 (Group Contributionmentioning

confidence: 95%

“…• Polyols (C2 to C7) • Hydroxyamines, amino acids (C2 to C6) and nitrophenol Betterton (1991); BC: Bone, Cullis and Wolfenden (1983)-values at 20 ° C; BH 1: Betterton and Hoffmann (1988); BH2: Benkelberg, Hamm and Wameck (1995); HMI: Hoff, Mackay et al (1993); HM2: Hine and Mookerjee (1975); KB: Khan, Brimblecombe and Clegg (1995); LK: Lind and Kok (1994); MD: Martin and Damschen (1981); NO: Nielsen, Olsen and Frendenslund (1994) These are taken from the compilation of Hine and Mookerjee (1975), whose source for 1-propanol, 2-propanol, l-butanol, 2-butanol and 2-methyl 2-propanol is the original work of . Hine and Mookerjee compilation also contains KAW values for 1,2-ethanediol and 1,2,3-propanetriol (aka glycerol) that are taken from a companion paper by .…”

Section: Air-water Equilibrium Constants and Their Applicationmentioning

confidence: 99%

Water-soluble organics in atmospheric particles: A critical review of the literature and application of thermodynamics to identify candidate compounds

1996

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Although organic compounds typically constitute a substantial fraction of the fine particulate matter (PM) in the atmosphere, their molecular composition remains poorly characterized. This is largely because atmospheric particles contain a myriad of diverse organic compounds, not all of which extract in a single solvent or elute through a gas chromatograph; therefore, a substantial portion typically remains unanalyzed. Most often the chemical analysis is performed on a fraction that extracts in organic solvents such as benzene, ether or hexane; consequently, information on the molecular composition of the water-soluble fraction is particularly sparse and incomplete.This paper investigates theoretically the characteristics of the water-soluble fraction by splicing together various strands of information from the literature. We identify specific compounds that are likely to contribute to the water-soluble fraction by juxtaposing observations regarding the extraction characteristics and the molecular composition of atmospheric particulate organics with compound-specific solubility and condensibility for a wide variety of organics. The results show that water-soluble organics, which constitute a substantial fraction of the total organic mass, include C2 to C7 multifunctional compounds (e.g., diacids, polyols, amino acids). The importance of diacids is already recognized; our results provide an impetus for new experiments to establish the atmospheric concentrations and sources of polyols, amino acids and other oxygenated multifunctional compounds.

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“…For example, from 12 to 3 • N, a mean acetone flux −0.6 µmoles m −2 d −1 is predicted using the solubility from Zhou and Mopper (1990). If the solubility from Benkelberg et al (1995) is used instead, the predicted net flux becomes 1.0 µmoles m −2 d −1 . We also examine the sensitivity of the predicted net flux with respect to the choice of k a .…”

Section: Acetonementioning

confidence: 99%

Air–sea fluxes of oxygenated volatile organic compounds across the Atlantic Ocean

et al. 2014

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Abstract. We present air-sea fluxes of oxygenated volatile organics compounds (OVOCs) quantified by eddy covariance (EC) during the Atlantic Meridional Transect cruise in 2012. Measurements of acetone, acetaldehyde, and methanol in air as well as in water were made in several different oceanic provinces and over a wide range of wind speeds (1-18 m s −1 ). The ocean appears to be a net sink for acetone in the higher latitudes of the North Atlantic but a source in the subtropics. In the South Atlantic, seawater acetone was near saturation relative to the atmosphere, resulting in essentially zero net flux. For acetaldehyde, the two-layer model predicts a small oceanic emission, which was not well resolved by the EC method. Chemical enhancement of air-sea acetaldehyde exchange due to aqueous hydration appears to be minor. The deposition velocity of methanol correlates linearly with the transfer velocity of sensible heat, confirming predominant airside control. We examine the relationships between the OVOC concentrations in air as well as in water, and quantify the gross emission and deposition fluxes of these gases.

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Henry's law coefficients for aqueous solutions of acetone, acetaldehyde and acetonitrile, and equilibrium constants for the addition compounds of acetone and acetaldehyde with bisulfite

Cited by 73 publications

References 24 publications

Temperature dependence of Henry's law constants: An automated, high-throughput gas stripping cell design coupled to PTR-ToF-MS

Temperature dependence of Henry's law constants: An automated, high-throughput gas stripping cell design coupled to PTR-ToF-MS

Water-soluble organics in atmospheric particles: A critical review of the literature and application of thermodynamics to identify candidate compounds

Air–sea fluxes of oxygenated volatile organic compounds across the Atlantic Ocean

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