Thermodynamic properties of organic oxygen compounds 42. Physical and thermodynamic properties of benzaldehyde

Ambrose, D.; Connett, J. E.; Green, J.H.S.; Hales, J. L.; Head, A.J.; Martin, John F.

doi:10.1016/0021-9614(75)90035-x

Cited by 52 publications

(15 citation statements)

References 35 publications

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“…Indeed, the adsorption enthalpy value resulted from a linear weighted least-squares fitting of these data is Hads = -46 ± 8 kJ/mol (the quoted error is given at 2 level + 5%). Further, this value of Hads is slightly higher than the enthalpy of condensation of -50.3 kJ/mol, 51 which is thermodynamically not consistent. Therefore, we used a different approach to determine the adsorption enthalpy of benzaldehyde on ice at the temperatures of the measurements.…”

Section: Nmkads(t) or K(t)v/amentioning

confidence: 83%

Adsorption of Benzaldehyde at the Surface of Ice, Studied by Experimental Method and Computer Simulation

et al. 2010

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Adsorption study of benzaldehyde on ice surfaces is performed by combining experimental and theoretical approaches. The experiments are conducted over the temperature range 233-253 K using a coated wall flow tube coupled to a mass spectrometric detector. Besides the experimental way, the adsorption isotherm is also determined by performing a set of grand canonical Monte Carlo simulations at 233 K. The experimental and calculated adsorption isotherms show a very good agreement within the corresponding errors. Besides, both experimental and theoretical studies permit us to derive the enthalpy of adsorption of benzaldehyde on ice surfaces DeltaH(ads), which are in excellent agreement: DeltaH(ads) = -61.4 +/- 9.7 kJ/mol (experimental) and DeltaH(ads) = -59.4 +/- 5.1 kJ/mol (simulation). The obtained results indicate a much stronger ability of benzaldehyde of being adsorbed at the surface of ice than that of small aliphatic aldehydes, such as formaldehyde or acetaldehyde. At low surface coverages the adsorbed molecules exclusively lie parallel with the ice surface. With increasing surface coverage, however, the increasing competition of the adsorbed molecules for the surface area to be occupied leads to the appearance of two different perpendicular orientations relative to the surface. In the first orientation, the benzaldehyde molecule turns its aldehyde group toward the ice phase, and, similarly to the molecules in the lying orientation, forms a hydrogen bond with a surface water molecule. In the other perpendicular orientation the aldehyde group turns to the vapor phase, and its O atom interacts with the delocalized pi system of the benzene ring of a nearby lying benzaldehyde molecule of the second molecular layer. In accordance with this observed scenario, the saturated adsorption layer, being stable in a roughly 1 kJ/mol broad range of chemical potentials, contains, besides the first molecular layer, also traces of the second molecular layer of adsorbed benzaldehyde.

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Section: Nmkads(t) or K(t)v/amentioning

confidence: 83%

Adsorption of Benzaldehyde at the Surface of Ice, Studied by Experimental Method and Computer Simulation

et al. 2010

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“…p,m = −47.4 ± 0.5 J•mol −1 •K −1 derived from approximation of the reliable experimental vapour pressures reported by Ambrose et al [54]. The latter value is more accurate, and it has been used to derive vaporisation enthalpies of benzaldehyde with the help of Eqs.…”

Section: Evaluation Of Vapour Pressures Over the Liquid Benzaldehyde Andmentioning

confidence: 99%

“…Two sets of energies of combustion were determined by static-bomb calorimetry in National Physical laboratory of UK [54]. The first set was measured in this laboratory in 1963.…”

Section: Thermochemistry Of Benzaldehydementioning

confidence: 99%

“…We collected seven original data sets (see Table S3) on temperature vapour pressure dependences with traceable primary data. Additionally, we used seven sets of Antoine's equation coefficients compiled by Stephenson and Malanowski [35] •-static [57]; red round-ebulliometry [54]; blue round-ebulliometry [59]; blue triangle-ref. [55]; black cross-ref.…”

Section: Evaluation Of Vapour Pressures Over the Liquid Benzaldehyde Andmentioning

confidence: 99%

“…Fig.2Temperature dependence of vapour pressures for the benzaldehyde: ○-transpiration[61]; •-static[57]; red round-ebulliometry[54]; blue round-ebulliometry[59]; blue triangle-ref [55]…”

mentioning

confidence: 99%

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Weaving a web of reliable thermochemistry around lignin building blocks: phenol, benzaldehyde, and anisole

Verevkin

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J Therm Anal Calorim

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Substituted benzenes such as phenol, benzaldehyde, and anisole are the simplest fragments from the lignin separation feedstocks. We have collected available primary experimental results on vapour pressures, enthalpies of phase transition, and enthalpies of combustion of phenol, benzaldehyde, and anisole. The resulting data on the gas-phase standard molar enthalpies of formation were validated using the quantum chemical method G4. The consistent sets of evaluated thermodynamic data are essential for calculating the energy balances of lignin conversion in the value-added chemicals and materials. Graphic abstract

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Acceptorless Photocatalytic Dehydrogenation for Alcohol Decarbonylation and Imine Synthesis

Manna

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Die metallorganisch katalysierte photokatalytische dehydrierende Decarbonylierung von primären Alkoholen zu Alkanen, CO und H2 wird mit Blick auf die Umsetzung hochoxygenierter Materialien neuerlich untersucht (siehe Schema). Methanol, Ethanol, Benzylalkohol und Cyclohexanmethanol werden einfach decarbonyliert. Die Photokatalysatoren sind auch in der Dehydrierung von Aminen aktiv und liefern N‐Alkylaldimine und H2.

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Thermodynamic properties of organic oxygen compounds 42. Physical and thermodynamic properties of benzaldehyde

Cited by 52 publications

References 35 publications

Adsorption of Benzaldehyde at the Surface of Ice, Studied by Experimental Method and Computer Simulation

Adsorption of Benzaldehyde at the Surface of Ice, Studied by Experimental Method and Computer Simulation

Weaving a web of reliable thermochemistry around lignin building blocks: phenol, benzaldehyde, and anisole

Acceptorless Photocatalytic Dehydrogenation for Alcohol Decarbonylation and Imine Synthesis

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