Estimating pure component vapor pressures of complex organic molecules

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101 Citations (Scopus)

Abstract

Modifications of the entropy of boiling term and heat capacity change upon boiling term are made to the Yalkowsky - Mishra vapor pressure equation. These modifications eliminate a systematic error and enable the pure component vapor pressure estimation of complex organic compounds, including those that are hydrogen bonding. The new vapor pressure equation, which requires only the knowledge of transition temperatures and molecular structure, is shown to be more accurate than the Yalkowky - Mishra equation for a wide variety of compounds over a wide range of temperatures (vapor pressures from 1 atm and below).

Original languageEnglish (US)
Pages (from-to)2494-2499
Number of pages6
JournalIndustrial and Engineering Chemistry Research
Volume36
Issue number6
StatePublished - 1997

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Vapor pressure
vapor pressure
Molecules
Boiling liquids
heat capacity
Systematic errors
Organic compounds
Molecular structure
Superconducting transition temperature
Specific heat
entropy
organic compound
Hydrogen bonds
Entropy
temperature
hydrogen
Temperature

ASJC Scopus subject areas

  • Chemical Engineering (miscellaneous)
  • Environmental Science(all)
  • Polymers and Plastics

Cite this

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abstract = "Modifications of the entropy of boiling term and heat capacity change upon boiling term are made to the Yalkowsky - Mishra vapor pressure equation. These modifications eliminate a systematic error and enable the pure component vapor pressure estimation of complex organic compounds, including those that are hydrogen bonding. The new vapor pressure equation, which requires only the knowledge of transition temperatures and molecular structure, is shown to be more accurate than the Yalkowky - Mishra equation for a wide variety of compounds over a wide range of temperatures (vapor pressures from 1 atm and below).",
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AB - Modifications of the entropy of boiling term and heat capacity change upon boiling term are made to the Yalkowsky - Mishra vapor pressure equation. These modifications eliminate a systematic error and enable the pure component vapor pressure estimation of complex organic compounds, including those that are hydrogen bonding. The new vapor pressure equation, which requires only the knowledge of transition temperatures and molecular structure, is shown to be more accurate than the Yalkowky - Mishra equation for a wide variety of compounds over a wide range of temperatures (vapor pressures from 1 atm and below).

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