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Application of the COSMO−SAC−BP Solvation Model to Predictions of Normal Boiling Temperatures for Environmentally Significant Substances

https://doi.org/10.1021/ie050352k
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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New group contribution method for estimating properties of pure compounds
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Estimation of pure compound properties using group‐interaction contributions
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Fast solvent screening via quantum chemistry: COSMO‐RS approach
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Molecular Design - Chemical Structure Generation from the Properties of Pure Organic Compounds
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Estimation of pure component properties
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A new method for the estimation of the normal boiling point of non-electrolyte organic compounds
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Estimation of normal boiling points from group contributions
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Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure−Property Relationship
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The properties of gases and liquids
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A Priori Phase Equilibrium Prediction from a Segment Contribution Solvation Model
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Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena
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A modified thermodynamic perturbation theory equation for molecules with fused hard sphere cores
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Use of the DIPPR Database for Development of QSPR Correlations: Normal Boiling Point
inferredcites →https://doi.org/10.1021/jp048813nopenalex-snapshot
Prediction of Vapor Pressures and Enthalpies of Vaporization Using a COSMO Solvation Model
inferredcites →https://doi.org/10.1021/jp980017sopenalex-snapshot
Refinement and Parametrization of COSMO-RS
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Equation of state of chain molecules
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ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS
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Handbook of Property Estimation Methods for Chemicals, Environmental and Health Sciences

What points at this work

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Solvation and chemical engineering thermodynamics
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Sigma-Profile Database for Using COSMO-Based Thermodynamic Methods
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Vapor−Liquid Equilibria in the Propyl Acetate + Ethanoic Acid Binary System from (323.15 to 353.15) K: Measurement with a Static Method and Modeling with the NRTL, Wilson, UNIQUAC, and COSMO−SAC Approaches
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Prediction of Normal Boiling Points of Hydrocarbons Using Simple Molecular Properties
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