Ideal gas thermodynamic properties of methanoic and ethanoic acids

Chao, Jing; Zwolinski, Bruno J.

doi:10.1063/1.555571

Cited by 145 publications

(106 citation statements)

References 59 publications

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“…This would open the way for an improved statistical dimerization analysis. 30 Among the carboxylic acid dimers, formic acid dimer is the most weakly bound. 31 It is challenging to extend the present approach to acetic acid, 15,31 because the methyl rotors add in a non-trivial way to the partition function and are affected by dimerization.…”

Section: Discussionmentioning

confidence: 99%

Communication: The highest frequency hydrogen bond vibration and an experimental value for the dissociation energy of formic acid dimer

Kollipost

Larsen

Domanskaya

et al. 2012

The Journal of Chemical Physics

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The highest frequency hydrogen bond fundamental of formic acid dimer, ν24 (Bu), is experimentally located at 264 cm−1. FTIR spectra of this in-plane bending mode of (HCOOH)2 and band centers of its symmetric D isotopologues (isotopomers) recorded in a supersonic slit jet expansion are presented. Comparison to earlier studies at room temperature reveals the large influence of thermal excitation on the band maximum. Together with three Bu combination states involving hydrogen bond fundamentals and with recent progress for the Raman-active modes, this brings into reach an accurate statistical thermodynamics treatment of the dimerization process up to room temperature. We obtain D0 = 59.5(5) kJ/mol as the best experimental estimate for the dimer dissociation energy at 0 K. Further improvements have to wait for a more consistent determination of the room temperature equilibrium constant.

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Section: Discussionmentioning

confidence: 99%

Communication: The highest frequency hydrogen bond vibration and an experimental value for the dissociation energy of formic acid dimer

Kollipost

Larsen

Domanskaya

et al. 2012

The Journal of Chemical Physics

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“…The dimerization of acetic acid is a well characterized process, with the recommended value for the dimerization equilibrium constant given as follows [4,22]: K eq = P D /P 2 M = 7.1×10 −9 exp(7705/T ), for dimer (P D ) and monomer (P M ) partial pressures given in units of atm. Thus, under the conditions of our experiments, measured absorbance spectra will contain contributions from both the monomer and the dimer:…”

Section: Acetic Acidmentioning

confidence: 99%

Gas phase UV absorption spectra for peracetic acid, and for acetic acid monomers and dimers

Orlando

Tyndall

2003

Journal of Photochemistry and Photobiology A: Chemistry

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Absorption cross sections have been determined in the UV spectral region (205-350 nm) for gas phase acetic acid (CH 3 C(O)OH) in its monomeric and dimeric forms (270-345 K), as well as for peracetic acid (CH 3 C(O)OOH, 248 and 298 K). Analysis of acetic acid spectra recorded over a range of pressures (0.12-3.6 Torr), coupled with a prior knowledge of the dimerization equilibrium constant, allowed for the deconvolution of the monomer and dimer absorption spectra. The 298 K monomer spectrum consists of a maximum near 207 nm (σ = 1.4 × 10 −19 cm 2 per molecule), with monotonically decreasing cross sections at longer wavelengths. The dimer spectrum possesses a maximum located short of 205 nm, with a peak intensity about double that of the monomer. The first gas phase spectrum of peracetic acid is also reported, which is similar to a previously published solution-phase spectrum. Measurable absorption extends to 340 nm at 298 K, and it is determined that the tropospheric photolysis of this species will be a reasonably rapid process (lifetime ≈ weeks), which will play at least a minor role in its atmospheric destruction.

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“…The vapor of formic acid deviates considerably in behavior from an ideal gas because the molecules dimerize partially in the vapor phase. At room temperature and normal pressure, 95% of the formic acid vapor consists of dimerized formic acid [7]:…”

Section: Physical Propertiesmentioning

confidence: 99%

Formic Acid

Hietala¹,

Vuori²,

Johnsson³

et al. 2016

Ullmann's Encyclopedia of Industrial Chemistry

143

141

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The article contains sections titled: 1. Introduction 2. Physical Properties 3. Chemical Properties 3.1. Stability 3.2. Carboxylic Acid Reactions 3.3. Other Reactions 4. Production 4.1. Methyl Formate Hydrolysis 4.1.1. Kemira ‐ Leonard Process 4.1.2. BASF Process 4.1.3. USSR Process 4.2. Production from Formates 4.2.1. Formates as Polyol Byproducts 4.2.2. Formates from Carbon Monoxide 4.3. Formic Acid from Carbon Dioxide 4.4. Formic Acid from Biomass 4.5. Other Processes 4.6. Recovery of Formic Acid 5. Environmental Protection 6. Quality Specifications 7. Chemical Analysis 8. Storage and Transportation 9. Legal Aspects 10. Uses 10.1. Biomass Preservation 10.1.1. Silage 10.1.2. Animal Biomass 10.2 Leather 10.3. Textile 10.4. Feed Additives 10.5. Pharmaceuticals and Food Additives 10.6. Other Uses 10.6.1. Rubber Coagulation 10.6.2. Gas desulfurization 10.6.3. Well acidifizers 10.6.4. Formic Acid as Source of Hydrogen and Carbon Dioxide 10.6.5. Cleaning Agents 10.6.6. Solvent Use 11. Economic Aspects 12. Derivatives 12.1. Salts 12.1.1. Sodium Formate 12.1.2. Potassium Formate 12.1.3. Other Formate Salts 12.2. Esters 12.1.1. Methyl Formate 12.1.2. Ethyl Formate 12.2.3. Other Esters 12.3. Performic Acid 13. Toxicology and Occupational Health

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Ideal gas thermodynamic properties of methanoic and ethanoic acids

Cited by 145 publications

References 59 publications

Communication: The highest frequency hydrogen bond vibration and an experimental value for the dissociation energy of formic acid dimer

Communication: The highest frequency hydrogen bond vibration and an experimental value for the dissociation energy of formic acid dimer

Gas phase UV absorption spectra for peracetic acid, and for acetic acid monomers and dimers

Formic Acid

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