Modified Trouton's Rule for Predicting the Entropy of Boiling

Myrdal, Paul B.; Krzyzaniak, Joseph F.; Yalkowsky, Samuel H.

doi:10.1021/ie950147c

Cited by 30 publications

(36 citation statements)

References 12 publications

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“…The method of Myrdal and Yalkowsky (1997) b σ is the rotational symmetry number (Dannenfelser and Yalkowsky, 1996) and τ the effective torsional bond number (Myrdal et al, 1996).…”

Section: (Mg) Are Group Contribution Methods Providing Both T Fus (Jrmentioning

confidence: 99%

Estimating fusion properties for functionalised acids

2011

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Abstract. Multicomponent organic aerosol (OA) is likely to be liquid, or partially liquid. Hence, to describe the partitioning of these components, their liquid vapour pressure is desired. Functionalised acids (e.g. diacids) can be a significant part of OA. But often measurements are available only for solid state vapour pressure, which can differ by orders of magnitude from their liquid counterparts. To convert such a sublimation pressure to a subcooled liquid vapour pressure, fusion properties (two out of these three quantities: fusion enthalpy, fusion entropy, fusion temperature) are required. Unfortunately, experimental knowledge of fusion properties is sometimes missing in part or completely, hence an estimation method is required. Several fusion data estimation methods are tested here against experimental data of functionalised acids, and a simple estimation method is developed, specifically for this family of compounds, with a significantly smaller estimation error than the literature methods.

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“…The method of Myrdal and Yalkowsky (1997) b σ is the rotational symmetry number (Dannenfelser and Yalkowsky, 1996) and τ the effective torsional bond number (Myrdal et al, 1996).…”

Section: (Mg) Are Group Contribution Methods Providing Both T Fus (Jrmentioning

confidence: 99%

Estimating fusion properties for functionalised acids

2011

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“…HBN is defined by Eq. (7) as where OH, COOH, and NH 2 represent the number of alcohols, carboxylic acids, or primary amines, respectively, and MW is the molecular weight of the compound 19. The HBN is a parameter designed to weight hydrogen bonding relative to the solutes size.…”

Section: Methodsmentioning

confidence: 99%

Solubility of Solid Solutes in HFA‐134a With a Correlation to Physico‐Chemical Properties

Hoye

Gupta

Myrdal

2008

Journal of Pharmaceutical Sciences

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“…fus a g i represent parameter values, n i the frequency of group i . b σ is the rotational symmetry number (Dannenfelser and Yalkowsky, 1996) and τ the effective torsional bond number (Myrdal et al, 1996). 11,[7535][7536][7537][7538][7539][7540][7541][7542][7543][7544][7545][7546][7547][7548][7549][7550][7551][7552][7553]2011 Estimating fusion properties for polyacids…”

Section: Acpdmentioning

confidence: 99%

Technical Note: Estimating fusion properties for polyacids

Compernolle¹,

Ceulemans²,

Müller³

2011

Preprint

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Organic aerosol (OA) components are generally assumed to be liquid-like. Hence, to describe the partitioning of these components, the liquid vapor pressure of these components is desired. Polyacids and functionalized polyacids can be a significant part of OA. But often, measurements are available only for solid state vapor pressure, which can differ by orders of magnitude from their liquid counterparts. To convert such a sublimation pressure to a subcooled liquid vapor pressure, fusion properties (two out of these three quantities: fusion enthalpy, fusion entropy, fusion temperature) are required. Unfortunately, experimental knowledge of fusion properties is sometimes missing in part or totally, hence an estimation method is required. Several fusion data estimation methods are tested here against experimental data of polyacids. Next, we develop a simple estimation method, specifically for this kind of compounds, reducing significantly the estimation error

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Modified Trouton's Rule for Predicting the Entropy of Boiling

Cited by 30 publications

References 12 publications

Estimating fusion properties for functionalised acids

Estimating fusion properties for functionalised acids

Solubility of Solid Solutes in HFA‐134a With a Correlation to Physico‐Chemical Properties

Technical Note: Estimating fusion properties for polyacids

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